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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NN2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O5/c1-13-4-3-5-15(8-13)21(29)25-26-11-16(10-20(26)28)22(30)31-12-19(27)24-18-7-6-17(23)9-14(18)2/h3-9,16H,10-12H2,1-2H3,(H,24,27)(H,25,29)/t16-/m1/s1