ethyl 1-[3-(benzimidazol-1-yl)propanoyl]-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(benzimidazol-1-yl)propanoyl]-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(benzimidazol-1-yl)propanoyl]-3-phenethyl-piperidine-3-carboxylate CAS Name: 1-[3-(1-benzimidazolyl)-1-oxopropyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzimidazol-1-yl)propanoyl]-3-phenethylpiperidine-3-carboxylate Traditional Name: 1-[3-(benzimidazol-1-yl)propanoyl]-3-phenethyl-nipecotic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=NC3=CC=CC=C32)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=NC3=CC=CC=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-2-32-25(31)26(16-13-21-9-4-3-5-10-21)15-8-17-28(19-26)24(30)14-18-29-20-27-22-11-6-7-12-23(22)29/h3-7,9-12,20H,2,8,13-19H2,1H3