ethanedioic acid; 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenyl-methoxy]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenyl-methoxy]propan-2-ol Openeye Name: 1-[(4-fluorophenyl)methylamino]-3-[phenyl(p-tolyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-[(4-fluorobenzyl)amino]-3-[phenyl(p-tolyl)methoxy]propan-2-ol; oxalic acid Formula: C26H28FNO6 MolecularWeight: 469.502023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CNCC3=CC=C(C=C3)F)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CNCC3=CC=C(C=C3)F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26FNO2.C2H2O4/c1-18-7-11-21(12-8-18)24(20-5-3-2-4-6-20)28-17-23(27)16-26-15-19-9-13-22(25)14-10-19;3-1(4)2(5)6/h2-14,23-24,26-27H,15-17H2,1H3;(H,3,4)(H,5,6)