(4-cyclohexylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate

Systemtic Name: (4-cyclohexylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Openeye Name: (4-cyclohexylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate CAS Name: 3-methyl-4-[4-(1-piperazinyl)phenyl]benzoic acid (4-cyclohexylcyclohexyl) ester IUPAC Name: (4-cyclohexylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Traditional Name: 3-methyl-4-(4-piperazinophenyl)benzoic acid (4-cyclohexylcyclohexyl) ester Formula: C30H40N2O2 MolecularWeight: 460.6508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2CCC(CC2)C3CCCCC3)C4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2CCC(CC2)C3CCCCC3)C4=CC=C(C=C4)N5CCNCC5

InChI

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