(4-methoxy-4-phenyl-cyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate

Systemtic Name: (4-methoxy-4-phenyl-cyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Openeye Name: (4-methoxy-4-phenyl-cyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate CAS Name: 3-methyl-4-[4-(1-piperazinyl)phenyl]benzoic acid (4-methoxy-4-phenylcyclohexyl) ester IUPAC Name: (4-methoxy-4-phenylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Traditional Name: 3-methyl-4-(4-piperazinophenyl)benzoic acid (4-methoxy-4-phenyl-cyclohexyl) ester Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2CCC(CC2)(C3=CC=CC=C3)OC)C4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2CCC(CC2)(C3=CC=CC=C3)OC)C4=CC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C31H36N2O3/c1-23-22-25(10-13-29(23)24-8-11-27(12-9-24)33-20-18-32-19-21-33)30(34)36-28-14-16-31(35-2,17-15-28)26-6-4-3-5-7-26/h3-13,22,28,32H,14-21H2,1-2H3