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

Systemtic Name: methyl 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: methyl 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4-tert-butylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4-tert-butylcyclohexyl)piperazino]phenyl]benzoic acid methyl ester Formula: C28H38N2O2 MolecularWeight: 434.61352

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O2/c1-28(2,3)24-11-15-26(16-12-24)30-19-17-29(18-20-30)25-13-9-22(10-14-25)21-5-7-23(8-6-21)27(31)32-4/h5-10,13-14,24,26H,11-12,15-20H2,1-4H3