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

Systemtic Name: 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid Openeye Name: 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid CAS Name: 4-[4-[4-(4-tert-butylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid IUPAC Name: 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoic acid Traditional Name: 4-[4-[4-(4-tert-butylcyclohexyl)piperazino]phenyl]benzoic acid Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2/c1-27(2,3)23-10-14-25(15-11-23)29-18-16-28(17-19-29)24-12-8-21(9-13-24)20-4-6-22(7-5-20)26(30)31/h4-9,12-13,23,25H,10-11,14-19H2,1-3H3,(H,30,31)