2-azanyl-4-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[3-(3-chloro-4-fluoro-phenyl)-4-methyl-anilino]-4-oxo-butanoic acid CAS Name: 2-amino-4-[3-(3-chloro-4-fluorophenyl)-4-methylanilino]-4-oxobutanoic acid IUPAC Name: 2-amino-4-[3-(3-chloro-4-fluorophenyl)-4-methylanilino]-4-oxobutanoic acid Traditional Name: 2-amino-4-[3-(3-chloro-4-fluoro-phenyl)-4-methyl-anilino]-4-keto-butyric acid Formula: C17H16ClFN2O3 MolecularWeight: 350.771943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)N)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)N)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H16ClFN2O3/c1-9-2-4-11(21-16(22)8-15(20)17(23)24)7-12(9)10-3-5-14(19)13(18)6-10/h2-7,15H,8,20H2,1H3,(H,21,22)(H,23,24)