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

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] (3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Cl

InChI

InChI=1S/C22H23ClN2O4/c1-3-15-5-7-17(8-6-15)25-12-16(11-21(25)27)22(28)29-13-20(26)24-19-9-4-14(2)10-18(19)23/h4-10,16H,3,11-13H2,1-2H3,(H,24,26)/t16-/m0/s1