methyl 4-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]-3-oxidanyl-4-phenoxy-butanoate

Systemtic Name: methyl 4-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]-3-oxidanyl-4-phenoxy-butanoate Openeye Name: methyl 4-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]-3-hydroxy-4-phenoxy-butanoate CAS Name: 4-[4-(4-cyano-4-phenylcyclohexyl)-1-piperazinyl]-3-hydroxy-4-phenoxybutanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-cyano-4-phenylcyclohexyl)piperazin-1-yl]-3-hydroxy-4-phenoxybutanoate Traditional Name: 4-[4-(4-cyano-4-phenyl-cyclohexyl)piperazino]-3-hydroxy-4-phenoxy-butyric acid methyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC=CC=C3)OC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)CC(C(N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC=CC=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C28H35N3O4/c1-34-26(33)20-25(32)27(35-24-10-6-3-7-11-24)31-18-16-30(17-19-31)23-12-14-28(21-29,15-13-23)22-8-4-2-5-9-22/h2-11,23,25,27,32H,12-20H2,1H3