2-[methyl-[(4-oxidanyl-1-phenethyl-piperidin-4-yl)methyl]amino]benzoic acid

Systemtic Name: 2-[methyl-[(4-oxidanyl-1-phenethyl-piperidin-4-yl)methyl]amino]benzoic acid Openeye Name: 2-[(4-hydroxy-1-phenethyl-4-piperidyl)methyl-methyl-amino]benzoic acid CAS Name: 2-[(4-hydroxy-1-phenethyl-4-piperidinyl)methyl-methylamino]benzoic acid IUPAC Name: 2-[(4-hydroxy-1-phenethylpiperidin-4-yl)methyl-methylamino]benzoic acid Traditional Name: 2-[(4-hydroxy-1-phenethyl-4-piperidyl)methyl-methyl-amino]benzoic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=CC=C2)O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=CC=C2)O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H28N2O3/c1-23(20-10-6-5-9-19(20)21(25)26)17-22(27)12-15-24(16-13-22)14-11-18-7-3-2-4-8-18/h2-10,27H,11-17H2,1H3,(H,25,26)