(2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)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-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 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-piperidino-ethyl) ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C21H25ClN2O4/c1-14-11-17(21(26)28-13-20(25)23-9-5-4-6-10-23)15(2)24(14)18-12-16(22)7-8-19(18)27-3/h7-8,11-12H,4-6,9-10,13H2,1-3H3