[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=C(C=CC(=C3)Cl)OC

InChI

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