ethyl 1-[3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(4-chlorophenyl)-3-(1-methyl-3-indolyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-chlorophenyl)-3-(1-methylindol-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O3/c1-3-32-26(31)19-7-6-14-29(16-19)25(30)15-22(18-10-12-20(27)13-11-18)23-17-28(2)24-9-5-4-8-21(23)24/h4-5,8-13,17,19,22H,3,6-7,14-16H2,1-2H3