3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(4-fluorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(4-fluorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-(4-fluorophenyl)-4-oxo-butanoic acid CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-(4-fluorophenyl)-4-oxobutanoic acid IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(4-fluorophenyl)-4-oxobutanoic acid Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-(4-fluorophenyl)-4-keto-butyric acid Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(CC(=O)O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(CC(=O)O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN2O3/c1-14-2-5-16(22)12-18(14)24-8-10-25(11-9-24)19(13-20(26)27)21(28)15-3-6-17(23)7-4-15/h2-7,12,19H,8-11,13H2,1H3,(H,26,27)