4-(1-azanylethoxy)-3-bromanyl-5-[3-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 4-(1-azanylethoxy)-3-bromanyl-5-[3-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 4-(1-aminoethoxy)-3-bromo-5-[3-(trifluoromethyl)phenyl]benzoic acid CAS Name: 4-(1-aminoethoxy)-3-bromo-5-[3-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 4-(1-aminoethoxy)-3-bromo-5-[3-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 4-(1-aminoethoxy)-3-bromo-5-[3-(trifluoromethyl)phenyl]benzoic acid Formula: C16H13BrF3NO3 MolecularWeight: 404.17853

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)OC1=C(C=C(C=C1C2=CC(=CC=C2)C(F)(F)F)C(=O)O)Br

Isomeric SMILES

CC(N)OC1=C(C=C(C=C1C2=CC(=CC=C2)C(F)(F)F)C(=O)O)Br

InChI

InChI=1S/C16H13BrF3NO3/c1-8(21)24-14-12(6-10(15(22)23)7-13(14)17)9-3-2-4-11(5-9)16(18,19)20/h2-8H,21H2,1H3,(H,22,23)