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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C22H23BrN2O4/c1-14-3-5-16(6-4-14)11-25-12-17(10-21(25)27)22(28)29-13-20(26)24-19-8-7-18(23)9-15(19)2/h3-9,17H,10-13H2,1-2H3,(H,24,26)/t17-/m0/s1