[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrN2O4/c1-13-5-3-4-6-17(13)20(26)22-12-11-18(24)27-14(2)19(25)23-16-9-7-15(21)8-10-16/h3-10,14H,11-12H2,1-2H3,(H,22,26)(H,23,25)