[(3-methoxy-4-oxidanyl-phenyl)-[(phenylmethyl)amino]methyl]-phenethyl-phosphinic acid

Systemtic Name: [(3-methoxy-4-oxidanyl-phenyl)-[(phenylmethyl)amino]methyl]-phenethyl-phosphinic acid Openeye Name: [(benzylamino)-(4-hydroxy-3-methoxy-phenyl)methyl]-phenethyl-phosphinic acid CAS Name: [(4-hydroxy-3-methoxyphenyl)-[(phenylmethyl)amino]methyl]-phenethylphosphinic acid IUPAC Name: [(benzylamino)-(4-hydroxy-3-methoxyphenyl)methyl]-phenethylphosphinic acid Traditional Name: [(benzylamino)-(4-hydroxy-3-methoxy-phenyl)methyl]-phenethyl-phosphinic acid Formula: C23H26NO4P MolecularWeight: 411.430601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(NCC2=CC=CC=C2)P(=O)(CCC3=CC=CC=C3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(NCC2=CC=CC=C2)P(=O)(CCC3=CC=CC=C3)O)O

InChI

InChI=1S/C23H26NO4P/c1-28-22-16-20(12-13-21(22)25)23(24-17-19-10-6-3-7-11-19)29(26,27)15-14-18-8-4-2-5-9-18/h2-13,16,23-25H,14-15,17H2,1H3,(H,26,27)