ethyl 1-[[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-methyl-5-(p-tolyl)-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-methyl-5-(p-tolyl)-1H-pyrrole-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-4-26-21(25)17-9-11-23(12-10-17)20(24)18-13-19(22-15(18)3)16-7-5-14(2)6-8-16/h5-8,13,17,22H,4,9-12H2,1-3H3