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

Systemtic Name: 2-[[2-bromanyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-ethoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-ethoxycarbonyl-amino]acetic acid CAS Name: 2-[[[2-bromo-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-oxomethyl]-ethoxycarbonylamino]acetic acid IUPAC Name: 2-[[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-ethoxycarbonylamino]acetic acid Traditional Name: 2-[[2-bromo-6-methoxy-5-(trifluoromethyl)-1-naphthoyl]-carbethoxy-amino]acetic acid Formula: C18H15BrF3NO6 MolecularWeight: 478.21401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CC(=O)O)C(=O)C1=C(C=CC2=C1C=CC(=C2C(F)(F)F)OC)Br

Isomeric SMILES

CCOC(=O)N(CC(=O)O)C(=O)C1=C(C=CC2=C1C=CC(=C2C(F)(F)F)OC)Br

InChI

InChI=1S/C18H15BrF3NO6/c1-3-29-17(27)23(8-13(24)25)16(26)14-9-5-7-12(28-2)15(18(20,21)22)10(9)4-6-11(14)19/h4-7H,3,8H2,1-2H3,(H,24,25)