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

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Systematic / IUPAC Name: Methyl 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyridin-4-ylmethylamino)methyl]cyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate

ID: Reference11178

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[(4-pyridinylmethyl)amino]methyl]-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553849

Formula: C27H34N4O2

Spectral Data

Methyl 2-{[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(4-pyridinylmethyl)amino]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 2397
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2022 11:52:33 AM
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Identificators

InChI InChI=1S/C27H34N4O2/c1-17(2)23-12-21(18(3)11-22(23)16-29-15-19-7-9-28-10-8-19)14-26-30-24-6-5-20(27(32)33-4)13-25(24)31-26/h5-11,13,17,21-23,29H,12,14-16H2,1-4H3,(H,30,31)/t21-,22-,23-/m0/s1
InChI Key GHCOLZMZJFAWNA-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNCC4=CC=NC=C4
CAS
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[(4-pyridinylmethyl)amino]methyl]-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553849

In Other Databases

PubChem 71693190
ChemSpider 29849744