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

Systemtic Name: 2-acetyloxybenzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine Openeye Name: 2-acetoxybenzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine CAS Name: 2-acetyloxybenzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine IUPAC Name: 2-acetyloxybenzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine Traditional Name: 2-acetoxybenzoic acid; methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine Formula: C26H26F3NO5 MolecularWeight: 489.48355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO.C9H8O4/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-10,16,21H,11-12H2,1H3;2-5H,1H3,(H,11,12)