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

Systemtic Name: 4-[4-[4-(4-cyclohexyl-4-methoxy-cyclohexyl)piperazin-1-yl]phenyl]benzoic acid Openeye Name: 4-[4-[4-(4-cyclohexyl-4-methoxy-cyclohexyl)piperazin-1-yl]phenyl]benzoic acid CAS Name: 4-[4-[4-(4-cyclohexyl-4-methoxycyclohexyl)-1-piperazinyl]phenyl]benzoic acid IUPAC Name: 4-[4-[4-(4-cyclohexyl-4-methoxycyclohexyl)piperazin-1-yl]phenyl]benzoic acid Traditional Name: 4-[4-[4-(4-cyclohexyl-4-methoxy-cyclohexyl)piperazino]phenyl]benzoic acid Formula: C30H40N2O3 MolecularWeight: 476.6502

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

COC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C30H40N2O3/c1-35-30(26-5-3-2-4-6-26)17-15-28(16-18-30)32-21-19-31(20-22-32)27-13-11-24(12-14-27)23-7-9-25(10-8-23)29(33)34/h7-14,26,28H,2-6,15-22H2,1H3,(H,33,34)