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

Systemtic Name: ethyl (3S)-1-[3,4,5-trimethyl-1-[(3-methylphenyl)methyl]pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3,4,5-trimethyl-1-(m-tolylmethyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[3,4,5-trimethyl-1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3,4,5-trimethyl-1-[(3-methylphenyl)methyl]pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3,4,5-trimethyl-1-(3-methylbenzyl)pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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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)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C(=C(N2CC3=CC=CC(=C3)C)C)C)C

InChI

InChI=1S/C24H32N2O3/c1-6-29-24(28)21-11-8-12-25(15-21)23(27)22-18(4)17(3)19(5)26(22)14-20-10-7-9-16(2)13-20/h7,9-10,13,21H,6,8,11-12,14-15H2,1-5H3/t21-/m0/s1