methyl 4-[[1-[(4-cyanophenyl)methyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1(CCN(CC1)CC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O3/c1-25(21-9-7-20(8-10-21)22(27)29-2)17-23(28)11-13-26(14-12-23)16-19-5-3-18(15-24)4-6-19/h3-10,28H,11-14,16-17H2,1-2H3