[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C21H21BrN2O4/c1-13-5-3-8-18(14(13)2)24-11-15(9-20(24)26)21(27)28-12-19(25)23-17-7-4-6-16(22)10-17/h3-8,10,15H,9,11-12H2,1-2H3,(H,23,25)/t15-/m0/s1