5-butoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate

Systemtic Name: 5-butoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate Openeye Name: 5-butoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate CAS Name: 5-butoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate IUPAC Name: 5-butoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate Traditional Name: 5-butoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate Formula: C21H20F3N2O3- MolecularWeight: 405.39031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=CC2=C1C(C(=C(N2)C)C(=O)[O-])C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCOC1=NC=CC2=C1C(C(=C(N2)C)C(=O)[O-])C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c1-3-4-11-29-19-18-15(9-10-25-19)26-12(2)16(20(27)28)17(18)13-7-5-6-8-14(13)21(22,23)24/h5-10,17,26H,3-4,11H2,1-2H3,(H,27,28)/p-1