methyl 5-bromanyl-2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]benzoate Openeye Name: methyl 5-bromo-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzoate CAS Name: 5-bromo-2-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzoate Traditional Name: 5-bromo-2-[3-(m-toluoylamino)propanoylamino]benzoic acid methyl ester Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C19H19BrN2O4/c1-12-4-3-5-13(10-12)18(24)21-9-8-17(23)22-16-7-6-14(20)11-15(16)19(25)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)(H,22,23)