Methyl 2-({(1S,4S,5S)-4-[(cyclohexylamino)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-[(cyclohexylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate

ID: Reference11143

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[(cyclohexylamino)methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553837

Formula: C27H39N3O2

Spectral Data

Methyl 2-({(1S,4S,5S)-4-[(cyclohexylamino)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 1097
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 3:31:57 PM
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Identificators

InChI InChI=1S/C27H39N3O2/c1-17(2)23-13-20(18(3)12-21(23)16-28-22-8-6-5-7-9-22)15-26-29-24-11-10-19(27(31)32-4)14-25(24)30-26/h10-12,14,17,20-23,28H,5-9,13,15-16H2,1-4H3,(H,29,30)/t20-,21-,23-/m0/s1
InChI Key DSGTTYVEKTZFJR-FUDKSRODSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC4CCCCC4
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[(cyclohexylamino)methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553837

In Other Databases

PubChem 71693182
ChemSpider 29849736