4-[(2-bromanyl-4-methyl-phenyl)amino]-2-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-bromanyl-4-methyl-phenyl)amino]-2-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromo-4-methyl-anilino)-2-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-(2-bromo-4-methylanilino)-2-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2-bromo-4-methylanilino)-2-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2-bromo-4-methyl-anilino)-4-keto-2-(3-methylbenzyl)butyric acid Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO3/c1-12-4-3-5-14(8-12)10-15(19(23)24)11-18(22)21-17-7-6-13(2)9-16(17)20/h3-9,15H,10-11H2,1-2H3,(H,21,22)(H,23,24)