(4,4-dimethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate

Systemtic Name: (4,4-dimethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Openeye Name: (4,4-dimethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate CAS Name: 3-methyl-4-[4-(1-piperazinyl)phenyl]benzoic acid (4,4-dimethylcyclohexyl) ester IUPAC Name: (4,4-dimethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Traditional Name: 3-methyl-4-(4-piperazinophenyl)benzoic acid (4,4-dimethylcyclohexyl) ester Formula: C26H34N2O2 MolecularWeight: 406.56036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2CCC(CC2)(C)C)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2CCC(CC2)(C)C)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C26H34N2O2/c1-19-18-21(25(29)30-23-10-12-26(2,3)13-11-23)6-9-24(19)20-4-7-22(8-5-20)28-16-14-27-15-17-28/h4-9,18,23,27H,10-17H2,1-3H3