3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazinoic acid Formula: C20H14F3N3O5 MolecularWeight: 433.33747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C20H14F3N3O5/c1-30-12-3-5-13(6-4-12)31-15-7-2-11(20(21,22)23)10-14(15)26-18(27)16-17(19(28)29)25-9-8-24-16/h2-10H,1H3,(H,26,27)(H,28,29)