methyl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: methyl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4-cyclohexylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4-cyclohexylcyclohexyl)piperazino]phenyl]benzoic acid methyl ester Formula: C30H40N2O2 MolecularWeight: 460.6508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C4CCC(CC4)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C4CCC(CC4)C5CCCCC5

InChI

InChI=1S/C30H40N2O2/c1-34-30(33)27-9-7-24(8-10-27)26-13-17-29(18-14-26)32-21-19-31(20-22-32)28-15-11-25(12-16-28)23-5-3-2-4-6-23/h7-10,13-14,17-18,23,25,28H,2-6,11-12,15-16,19-22H2,1H3