4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorophenyl)carbonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorophenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[[(2-fluorophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-[(2-fluorobenzoyl)amino]benzoic acid Formula: C24H28FN3O3 MolecularWeight: 425.495823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H28FN3O3/c25-20-9-5-4-8-19(20)23(29)26-21-16-17(24(30)31)10-11-22(21)28-14-12-27(13-15-28)18-6-2-1-3-7-18/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,26,29)(H,30,31)