(4-tert-butylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate

Systemtic Name: (4-tert-butylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Openeye Name: (4-tert-butylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate CAS Name: 3-methyl-4-[4-(1-piperazinyl)phenyl]benzoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Traditional Name: 3-methyl-4-(4-piperazinophenyl)benzoic acid (4-tert-butylcyclohexyl) ester Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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