3-[[2-bromanyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-methoxycarbonyl-amino]propanoic acid

Systemtic Name: 3-[[2-bromanyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-methoxycarbonyl-amino]propanoic acid Openeye Name: 3-[[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonyl-amino]propanoic acid CAS Name: 3-[[[2-bromo-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-oxomethyl]-methoxycarbonylamino]propanoic acid IUPAC Name: 3-[[2-bromo-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonylamino]propanoic acid Traditional Name: 3-[[2-bromo-6-methoxy-5-(trifluoromethyl)-1-naphthoyl]-carbomethoxy-amino]propionic acid Formula: C18H15BrF3NO6 MolecularWeight: 478.21401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(C=C2)Br)C(=O)N(CCC(=O)O)C(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(C=C2)Br)C(=O)N(CCC(=O)O)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H15BrF3NO6/c1-28-12-6-4-9-10(15(12)18(20,21)22)3-5-11(19)14(9)16(26)23(17(27)29-2)8-7-13(24)25/h3-6H,7-8H2,1-2H3,(H,24,25)