ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate CAS Name: 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate Traditional Name: 3-(p-anisylamino)-6-(trifluoromethyl)quinoxaline-2-carboxylic acid ethyl ester Formula: C20H18F3N3O3 MolecularWeight: 405.37043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18F3N3O3/c1-3-29-19(27)17-18(24-11-12-4-7-14(28-2)8-5-12)26-16-10-13(20(21,22)23)6-9-15(16)25-17/h4-10H,3,11H2,1-2H3,(H,24,26)