ethyl 1-[1-[1-(3-methylbutyl)benzimidazol-2-yl]piperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[1-(3-methylbutyl)benzimidazol-2-yl]piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(1-isopentylbenzimidazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[1-(3-methylbutyl)-2-benzimidazolyl]-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[1-(3-methylbutyl)benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(1-isoamylbenzimidazol-2-yl)isonipecotoyl]nipecotic acid ethyl ester Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CCC(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CCC(C)C

InChI

InChI=1S/C26H38N4O3/c1-4-33-25(32)21-8-7-14-29(18-21)24(31)20-12-15-28(16-13-20)26-27-22-9-5-6-10-23(22)30(26)17-11-19(2)3/h5-6,9-10,19-21H,4,7-8,11-18H2,1-3H3