N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; 2-oxidanylbutanedioic acid

Systemtic Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine CAS Name: 2-hydroxybutanedioic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine IUPAC Name: 2-hydroxybutanedioic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine Traditional Name: malic acid; methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine Formula: C21H24F3NO6 MolecularWeight: 443.41357

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C17H18F3NO.C4H6O5/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;5-2(4(8)9)1-3(6)7/h2-10,16,21H,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)