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

Systemtic Name: methyl 4-[4-[4-(4-cyclohexyl-4-methoxy-cyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: methyl 4-[4-[4-(4-cyclohexyl-4-methoxy-cyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4-cyclohexyl-4-methoxycyclohexyl)-1-piperazinyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-cyclohexyl-4-methoxycyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4-cyclohexyl-4-methoxy-cyclohexyl)piperazino]phenyl]benzoic acid methyl ester Formula: C31H42N2O3 MolecularWeight: 490.67678

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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)(C5CCCCC5)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCN(CC3)C4CCC(CC4)(C5CCCCC5)OC

InChI

InChI=1S/C31H42N2O3/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/h8-15,27,29H,3-7,16-23H2,1-2H3