2-[(4-bromophenyl)methyl]-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxobutanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxobutanoic acid Traditional Name: 2-(4-bromobenzyl)-4-(2,5-dimethylanilino)-4-keto-butyric acid Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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