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

Systemtic Name: ethyl 1-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3/c1-4-28-22(27)17-9-11-24(12-10-17)14-21(26)20-13-15(2)25(16(20)3)19-7-5-18(23)6-8-19/h5-8,13,17H,4,9-12,14H2,1-3H3