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

Systemtic Name: ethyl 1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrol-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,5-dimethyl-1-(p-tolylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-2-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,5-dimethyl-1-(4-methylbenzyl)pyrrole-2-carbonyl]isonipecotic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=C(N2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=C(N2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C23H30N2O3/c1-5-28-23(27)20-10-12-24(13-11-20)22(26)21-17(3)14-18(4)25(21)15-19-8-6-16(2)7-9-19/h6-9,14,20H,5,10-13,15H2,1-4H3