2-[[2-bromanyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-prop-2-enoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-bromanyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-prop-2-enoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[allyloxycarbonyl-[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid CAS Name: 2-[[[2-bromo-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-oxomethyl]-[oxo(prop-2-enoxy)methyl]amino]acetic acid IUPAC Name: 2-[[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-prop-2-enoxycarbonylamino]acetic acid Traditional Name: 2-[allyloxycarbonyl-[2-bromo-6-methoxy-5-(trifluoromethyl)-1-naphthoyl]amino]acetic acid Formula: C19H15BrF3NO6 MolecularWeight: 490.22471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(C=C2)Br)C(=O)N(CC(=O)O)C(=O)OCC=C)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(C=C2)Br)C(=O)N(CC(=O)O)C(=O)OCC=C)C(F)(F)F

InChI

InChI=1S/C19H15BrF3NO6/c1-3-8-30-18(28)24(9-14(25)26)17(27)15-10-5-7-13(29-2)16(19(21,22)23)11(10)4-6-12(15)20/h3-7H,1,8-9H2,2H3,(H,25,26)