6-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[4-(4-fluorophenyl)-1-piperazinyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[4-(4-fluorophenyl)piperazino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H26FN3O3 MolecularWeight: 423.479943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O3/c25-17-5-9-19(10-6-17)27-13-15-28(16-14-27)20-11-7-18(8-12-20)26-23(29)21-3-1-2-4-22(21)24(30)31/h1-2,5-12,21-22H,3-4,13-16H2,(H,26,29)(H,30,31)