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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-[(4-methylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[[(4-methylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-toluoylamino)pyrrolidine-3-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O5/c1-13-3-5-15(6-4-13)21(29)25-26-11-16(10-20(26)28)22(30)31-12-19(27)24-17-7-8-18(23)14(2)9-17/h3-9,16H,10-12H2,1-2H3,(H,24,27)(H,25,29)