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

enlarge

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

ID: Reference11177

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[(1-methyl-4-piperidinyl)amino]methyl]-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553846

Formula: C27H40N4O2

Spectral Data

Methyl 2-{[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(1-methyl-4-piperidinyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1526
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2022 11:50:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H40N4O2/c1-17(2)23-13-20(18(3)12-21(23)16-28-22-8-10-31(4)11-9-22)15-26-29-24-7-6-19(27(32)33-5)14-25(24)30-26/h6-7,12,14,17,20-23,28H,8-11,13,15-16H2,1-5H3,(H,29,30)/t20-,21-,23-/m0/s1
InChI Key SNLVVNIJHYOGAJ-FUDKSRODSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC4CCN(CC4)C
CAS
Splash
Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[(1-methyl-4-piperidinyl)amino]methyl]-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553846

In Other Databases

PubChem 71693187
ChemSpider 29849741