[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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