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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)OC

InChI

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