ethanedioic acid; [4-[3-[(4-fluorophenyl)methylamino]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[3-[(4-fluorophenyl)methylamino]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[3-[(4-fluorophenyl)methylamino]-2-hydroxy-propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[3-[(4-fluorobenzyl)amino]-2-hydroxy-propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C25H24FNO7 MolecularWeight: 469.458963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FNO3.C2H2O4/c24-20-10-6-17(7-11-20)14-25-15-21(26)16-28-22-12-8-19(9-13-22)23(27)18-4-2-1-3-5-18;3-1(4)2(5)6/h1-13,21,25-26H,14-16H2;(H,3,4)(H,5,6)