Methyl 2-{[(1S,4S,5S)-4-{[(N,N-dimethylglycyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]methyl}-1H-benzimidazole-5-carboxylate

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Systematic / IUPAC Name: Methyl 2-[[(1S,4S,5S)-4-[[[2-(dimethylamino)acetyl]amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate

ID: Reference11141

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[[2-(dimethylamino)acetyl]amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553839

Formula: C25H36N4O3

Spectral Data

Methyl 2-{[(1S,4S,5S)-4-{[(N,N-dimethylglycyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]methyl}-1H-benzimidazole-5-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1933
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 3:04:50 PM
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Identificators

InChI InChI=1S/C25H36N4O3/c1-15(2)20-10-18(16(3)9-19(20)13-26-24(30)14-29(4)5)12-23-27-21-8-7-17(25(31)32-6)11-22(21)28-23/h7-9,11,15,18-20H,10,12-14H2,1-6H3,(H,26,30)(H,27,28)/t18-,19-,20-/m0/s1
InChI Key BVSPYFPHTWEFLJ-UFYCRDLUSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC(=O)CN(C)C
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[[2-(dimethylamino)acetyl]amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553839

In Other Databases

PubChem 71693183
ChemSpider 29849737