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

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

Systemtic Name:benzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride
Openeye Name:benzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride
CAS Name:benzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; hydrochloride
IUPAC Name:benzoic acid; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride
Traditional Name:benzoic acid; methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine; hydrochloride
Formula: C24H25ClF3NO3
MolecularWeight: 467.90841
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H18F3NO.C7H6O2.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;8-7(9)6-4-2-1-3-5-6;/h2-10,16,21H,11-12H2,1H3;1-5H,(H,8,9);1H


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