2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[2-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C25H28FN3O4 MolecularWeight: 453.505923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C25H28FN3O4/c26-17-9-11-18(12-10-17)28-13-15-29(16-14-28)24(31)21-7-3-4-8-22(21)27-23(30)19-5-1-2-6-20(19)25(32)33/h3-4,7-12,19-20H,1-2,5-6,13-16H2,(H,27,30)(H,32,33)