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

Systemtic Name: ethyl 1-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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