[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] (3S)-1-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21ClN2O5/c1-13-17(22)4-3-5-18(13)24-11-14(10-20(24)26)21(27)29-12-19(25)23-15-6-8-16(28-2)9-7-15/h3-9,14H,10-12H2,1-2H3,(H,23,25)/t14-/m0/s1