4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromo-4-methyl-anilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxo-butanoic acid CAS Name: 4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid Traditional Name: 4-(3-bromo-4-methyl-anilino)-3-(3,5-dimethylbenzyl)-4-keto-2-methyl-butyric acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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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)C(C)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO3/c1-12-7-13(2)9-16(8-12)10-18(15(4)21(25)26)20(24)23-17-6-5-14(3)19(22)11-17/h5-9,11,15,18H,10H2,1-4H3,(H,23,24)(H,25,26)