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

Systemtic Name: ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-(1-m-anisyl-3,5-dimethyl-pyrrole-2-carbonyl)nipecotic acid ethyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-5-29-23(27)19-9-7-11-24(15-19)22(26)21-16(2)12-17(3)25(21)14-18-8-6-10-20(13-18)28-4/h6,8,10,12-13,19H,5,7,9,11,14-15H2,1-4H3