4-[3-(hydroxymethyl)-5-oxidanyl-1-(phenylmethyl)piperidin-4-yl]benzoate

Systemtic Name: 4-[3-(hydroxymethyl)-5-oxidanyl-1-(phenylmethyl)piperidin-4-yl]benzoate Openeye Name: 4-[1-benzyl-3-hydroxy-5-(hydroxymethyl)-4-piperidyl]benzoate CAS Name: 4-[3-hydroxy-5-(hydroxymethyl)-1-(phenylmethyl)-4-piperidinyl]benzoate IUPAC Name: 4-[1-benzyl-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl]benzoate Traditional Name: 4-(1-benzyl-3-hydroxy-5-methylol-4-piperidyl)benzoate Formula: C20H22NO4- MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1CC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)[O-])CO

Isomeric SMILES

C1C(C(C(CN1CC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)[O-])CO

InChI

InChI=1S/C20H23NO4/c22-13-17-11-21(10-14-4-2-1-3-5-14)12-18(23)19(17)15-6-8-16(9-7-15)20(24)25/h1-9,17-19,22-23H,10-13H2,(H,24,25)/p-1