2-[[2-chloranyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-methoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-chloranyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-methoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[[2-chloro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonyl-amino]acetic acid CAS Name: 2-[[[2-chloro-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-oxomethyl]-methoxycarbonylamino]acetic acid IUPAC Name: 2-[[2-chloro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonylamino]acetic acid Traditional Name: 2-[carbomethoxy-[2-chloro-6-methoxy-5-(trifluoromethyl)-1-naphthoyl]amino]acetic acid Formula: C17H13ClF3NO6 MolecularWeight: 419.73643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(C=C2)Cl)C(=O)N(CC(=O)O)C(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(C=C2)Cl)C(=O)N(CC(=O)O)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H13ClF3NO6/c1-27-11-6-4-8-9(14(11)17(19,20)21)3-5-10(18)13(8)15(25)22(7-12(23)24)16(26)28-2/h3-6H,7H2,1-2H3,(H,23,24)