4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid

Systemtic Name: 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid Openeye Name: 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid CAS Name: 4-[4-[4-(4-cyclohexylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid IUPAC Name: 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid Traditional Name: 4-[4-[4-(4-cyclohexylcyclohexyl)piperazino]phenyl]benzoic acid Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H38N2O2/c32-29(33)26-8-6-23(7-9-26)25-12-16-28(17-13-25)31-20-18-30(19-21-31)27-14-10-24(11-15-27)22-4-2-1-3-5-22/h6-9,12-13,16-17,22,24,27H,1-5,10-11,14-15,18-21H2,(H,32,33)