ethyl 1-[2-methyl-1-(4-methylphenyl)-5-phenyl-pyrrol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-methyl-1-(4-methylphenyl)-5-phenyl-pyrrol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-methyl-5-phenyl-1-(p-tolyl)pyrrole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-methyl-1-(4-methylphenyl)-5-phenyl-3-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-methyl-1-(4-methylphenyl)-5-phenylpyrrole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-methyl-5-phenyl-1-(p-tolyl)pyrrole-3-carbonyl]nipecotic acid ethyl ester Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H30N2O3/c1-4-32-27(31)22-11-8-16-28(18-22)26(30)24-17-25(21-9-6-5-7-10-21)29(20(24)3)23-14-12-19(2)13-15-23/h5-7,9-10,12-15,17,22H,4,8,11,16,18H2,1-3H3