ethyl 1-[3-(2-methylphenyl)-3-pyrrol-1-yl-propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(2-methylphenyl)-3-pyrrol-1-yl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(o-tolyl)-3-pyrrol-1-yl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(2-methylphenyl)-1-oxo-3-(1-pyrrolyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(o-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=CC=C2C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=CC=C2C)N3C=CC=C3

InChI

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