ethyl 1-[3-(1-methylindol-3-yl)-4-phenyl-butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1-methylindol-3-yl)-4-phenyl-butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1-methylindol-3-yl)-4-phenyl-butanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(1-methyl-3-indolyl)-1-oxo-4-phenylbutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-methylindol-3-yl)-4-phenylbutanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1-methylindol-3-yl)-4-phenyl-butanoyl]nipecotic acid ethyl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC(CC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC(CC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C27H32N2O3/c1-3-32-27(31)21-12-9-15-29(18-21)26(30)17-22(16-20-10-5-4-6-11-20)24-19-28(2)25-14-8-7-13-23(24)25/h4-8,10-11,13-14,19,21-22H,3,9,12,15-18H2,1-2H3