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

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C22H23BrN2O4/c1-15-7-8-18(12-19(15)23)24-20(26)14-29-22(28)17-11-21(27)25(13-17)10-9-16-5-3-2-4-6-16/h2-8,12,17H,9-11,13-14H2,1H3,(H,24,26)/t17-/m0/s1