methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylamino]benzoate

Systemtic Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylamino]benzoate Openeye Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylamino]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methylamino]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylamino]benzoic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC2(CCN(CC2)CCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC2(CCN(CC2)CCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H27N3O3/c1-29-22(27)20-6-8-21(9-7-20)25-17-23(28)11-14-26(15-12-23)13-10-18-2-4-19(16-24)5-3-18/h2-9,25,28H,10-15,17H2,1H3