[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C22H27ClN2O4/c1-14-7-5-6-10-24(14)21(26)13-29-22(27)18-11-15(2)25(16(18)3)19-12-17(23)8-9-20(19)28-4/h8-9,11-12,14H,5-7,10,13H2,1-4H3/t14-/m0/s1