4-[3-oxidanyl-1-(phenylmethyl)piperidin-4-yl]benzoic acid

Systemtic Name: 4-[3-oxidanyl-1-(phenylmethyl)piperidin-4-yl]benzoic acid Openeye Name: 4-(1-benzyl-3-hydroxy-4-piperidyl)benzoic acid CAS Name: 4-[3-hydroxy-1-(phenylmethyl)-4-piperidinyl]benzoic acid IUPAC Name: 4-(1-benzyl-3-hydroxypiperidin-4-yl)benzoic acid Traditional Name: 4-(1-benzyl-3-hydroxy-4-piperidyl)benzoic acid Formula: C19H21NO3 MolecularWeight: 311.37494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)C(=O)O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)C(=O)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c21-18-13-20(12-14-4-2-1-3-5-14)11-10-17(18)15-6-8-16(9-7-15)19(22)23/h1-9,17-18,21H,10-13H2,(H,22,23)