ethyl 1-[3-(3-methylphenyl)-3-[1-(phenylmethyl)indol-3-yl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3-methylphenyl)-3-[1-(phenylmethyl)indol-3-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1-benzylindol-3-yl)-3-(m-tolyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(3-methylphenyl)-1-oxo-3-[1-(phenylmethyl)-3-indolyl]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-benzylindol-3-yl)-3-(3-methylphenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1-benzylindol-3-yl)-3-(m-tolyl)propanoyl]isonipecotic acid ethyl ester Formula: C33H36N2O3 MolecularWeight: 508.65054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=CC(=C2)C)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=CC(=C2)C)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C33H36N2O3/c1-3-38-33(37)26-16-18-34(19-17-26)32(36)21-29(27-13-9-10-24(2)20-27)30-23-35(22-25-11-5-4-6-12-25)31-15-8-7-14-28(30)31/h4-15,20,23,26,29H,3,16-19,21-22H2,1-2H3