ethanedioic acid; N-[3-[[(4-fluoranyl-3-methyl-phenyl)methylamino]methyl]phenyl]-4-methyl-benzamide

Systemtic Name: ethanedioic acid; N-[3-[[(4-fluoranyl-3-methyl-phenyl)methylamino]methyl]phenyl]-4-methyl-benzamide Openeye Name: N-[3-[[(4-fluoro-3-methyl-phenyl)methylamino]methyl]phenyl]-4-methyl-benzamide; oxalic acid CAS Name: N-[3-[[(4-fluoro-3-methylphenyl)methylamino]methyl]phenyl]-4-methylbenzamide; oxalic acid IUPAC Name: N-[3-[[(4-fluoro-3-methylphenyl)methylamino]methyl]phenyl]-4-methylbenzamide; oxalic acid Traditional Name: N-[3-[[(4-fluoro-3-methyl-benzyl)amino]methyl]phenyl]-4-methyl-benzamide; oxalic acid Formula: C25H25FN2O5 MolecularWeight: 452.474803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CNCC3=CC(=C(C=C3)F)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CNCC3=CC(=C(C=C3)F)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23FN2O.C2H2O4/c1-16-6-9-20(10-7-16)23(27)26-21-5-3-4-18(13-21)14-25-15-19-8-11-22(24)17(2)12-19;3-1(4)2(5)6/h3-13,25H,14-15H2,1-2H3,(H,26,27);(H,3,4)(H,5,6)