methyl 4-[4-[4-(4-methoxy-4-phenyl-cyclohexyl)piperazin-1-yl]phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C4CCC(CC4)(C5=CC=CC=C5)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C4CCC(CC4)(C5=CC=CC=C5)OC

InChI

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