ethyl 1-[3-(4-methylphenyl)-3-pyrrol-1-yl-propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-methylphenyl)-3-pyrrol-1-yl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(p-tolyl)-3-pyrrol-1-yl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(4-methylphenyl)-1-oxo-3-(1-pyrrolyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(p-tolyl)-3-pyrrol-1-yl-propanoyl]isonipecotic acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-3-27-22(26)19-10-14-24(15-11-19)21(25)16-20(23-12-4-5-13-23)18-8-6-17(2)7-9-18/h4-9,12-13,19-20H,3,10-11,14-16H2,1-2H3