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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(N2CC3=CC=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(N2CC3=CC=CC(=C3)C)C)C

InChI

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