3-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoic acid

Systemtic Name: 3-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoic acid Openeye Name: 3-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoic acid CAS Name: 3-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]benzoic acid IUPAC Name: 3-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoic acid Traditional Name: 3-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=CC=CC(=C3)C(=O)O

InChI

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