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

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-fluoroanilino)-4-oxo-butanoic acid CAS Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-fluoroanilino)-4-oxobutanoic acid IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-fluoroanilino)-4-oxobutanoic acid Traditional Name: 3-(3,5-dimethylbenzyl)-4-(4-fluoroanilino)-4-keto-butyric acid Formula: C19H20FNO3 MolecularWeight: 329.365403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO3/c1-12-7-13(2)9-14(8-12)10-15(11-18(22)23)19(24)21-17-5-3-16(20)4-6-17/h3-9,15H,10-11H2,1-2H3,(H,21,24)(H,22,23)