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

enlarge

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

ID: Reference11176

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(1-acetyl-4-piperidinyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553833

Formula: C28H40N4O3

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2963
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2022 11:48:14 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H40N4O3/c1-17(2)24-13-21(15-27-30-25-7-6-20(28(34)35-5)14-26(25)31-27)18(3)12-22(24)16-29-23-8-10-32(11-9-23)19(4)33/h6-7,12,14,17,21-24,29H,8-11,13,15-16H2,1-5H3,(H,30,31)/t21-,22-,24-/m0/s1
InChI Key OXLXNBRGKUBNOM-FIXSFTCYSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC4CCN(CC4)C(=O)C
CAS
Splash
Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(1-acetyl-4-piperidinyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553833

In Other Databases

PubChem 71693178
ChemSpider 29849732