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

Systemtic Name: 2-[[2,6-dimethoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-methoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[[2,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonyl-amino]acetic acid CAS Name: 2-[[[2,6-dimethoxy-5-(trifluoromethyl)-1-naphthalenyl]-oxomethyl]-methoxycarbonylamino]acetic acid IUPAC Name: 2-[[2,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonylamino]acetic acid Traditional Name: 2-[carbomethoxy-[2,6-dimethoxy-5-(trifluoromethyl)-1-naphthoyl]amino]acetic acid Formula: C18H16F3NO7 MolecularWeight: 415.31735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO7/c1-27-11-6-5-10-9(4-7-12(28-2)15(10)18(19,20)21)14(11)16(25)22(8-13(23)24)17(26)29-3/h4-7H,8H2,1-3H3,(H,23,24)