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

Systemtic Name: 4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-tert-butylcyclohexyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-tert-butylcyclohexyl)piperazino]benzoic acid Formula: C21H32N2O2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2/c1-21(2,3)17-6-10-19(11-7-17)23-14-12-22(13-15-23)18-8-4-16(5-9-18)20(24)25/h4-5,8-9,17,19H,6-7,10-15H2,1-3H3,(H,24,25)