4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromo-4-methyl-anilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(3-bromo-4-methyl-anilino)-3-(3,5-dimethylbenzyl)-4-keto-butyric acid Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CC2=CC(=CC(=C2)C)C)CC(=O)O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(CC2=CC(=CC(=C2)C)C)CC(=O)O)Br

InChI

InChI=1S/C20H22BrNO3/c1-12-6-13(2)8-15(7-12)9-16(10-19(23)24)20(25)22-17-5-4-14(3)18(21)11-17/h4-8,11,16H,9-10H2,1-3H3,(H,22,25)(H,23,24)