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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)N3CCC(CC3)C(=O)OC

InChI

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