ethanedioic acid; 2-[4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol

Systemtic Name: ethanedioic acid; 2-[4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol Openeye Name: oxalic acid; 2-[4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol CAS Name: oxalic acid; 2-[4-[(phenethylamino)methyl]phenoxy]-1-phenylethanol IUPAC Name: oxalic acid; 2-[4-[(phenethylamino)methyl]phenoxy]-1-phenylethanol Traditional Name: oxalic acid; 2-[4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol Formula: C25H27NO6 MolecularWeight: 437.48498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=CC=C(C=C2)OCC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=CC=C(C=C2)OCC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25NO2.C2H2O4/c25-23(21-9-5-2-6-10-21)18-26-22-13-11-20(12-14-22)17-24-16-15-19-7-3-1-4-8-19;3-1(4)2(5)6/h1-14,23-25H,15-18H2;(H,3,4)(H,5,6)