4-[(3-fluoranyl-4-methyl-phenyl)carbonyl-[2-methyl-6-(2-methylphenyl)phenyl]amino]butanoic acid

Systemtic Name: 4-[(3-fluoranyl-4-methyl-phenyl)carbonyl-[2-methyl-6-(2-methylphenyl)phenyl]amino]butanoic acid Openeye Name: 4-[N-(3-fluoro-4-methyl-benzoyl)-2-methyl-6-(o-tolyl)anilino]butanoic acid CAS Name: 4-[N-[(3-fluoro-4-methylphenyl)-oxomethyl]-2-methyl-6-(2-methylphenyl)anilino]butanoic acid IUPAC Name: 4-[N-(3-fluoro-4-methylbenzoyl)-2-methyl-6-(2-methylphenyl)anilino]butanoic acid Traditional Name: 4-[N-(3-fluoro-4-methyl-benzoyl)-2-methyl-6-(o-tolyl)anilino]butyric acid Formula: C26H26FNO3 MolecularWeight: 419.487943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCC(=O)O)C2=C(C=CC=C2C)C3=CC=CC=C3C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCC(=O)O)C2=C(C=CC=C2C)C3=CC=CC=C3C)F

InChI

InChI=1S/C26H26FNO3/c1-17-8-4-5-10-21(17)22-11-6-9-19(3)25(22)28(15-7-12-24(29)30)26(31)20-14-13-18(2)23(27)16-20/h4-6,8-11,13-14,16H,7,12,15H2,1-3H3,(H,29,30)