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

Systemtic Name: 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid Openeye Name: 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid CAS Name: 4-[4-[4-(4,4-dimethylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid IUPAC Name: 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid Traditional Name: 4-[4-[4-(4,4-dimethylcyclohexyl)piperazino]phenyl]benzoic acid Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H32N2O2/c1-25(2)13-11-23(12-14-25)27-17-15-26(16-18-27)22-9-7-20(8-10-22)19-3-5-21(6-4-19)24(28)29/h3-10,23H,11-18H2,1-2H3,(H,28,29)