1-(2-ethylpyrimidin-4-yl)-7,8-dimethoxy-4-oxidanylidene-2,3-dihydroquinoline-2-carboxylic acid

Systemtic Name: 1-(2-ethylpyrimidin-4-yl)-7,8-dimethoxy-4-oxidanylidene-2,3-dihydroquinoline-2-carboxylic acid Openeye Name: 1-(2-ethylpyrimidin-4-yl)-7,8-dimethoxy-4-oxo-2,3-dihydroquinoline-2-carboxylic acid CAS Name: 1-(2-ethyl-4-pyrimidinyl)-7,8-dimethoxy-4-oxo-2,3-dihydroquinoline-2-carboxylic acid IUPAC Name: 1-(2-ethylpyrimidin-4-yl)-7,8-dimethoxy-4-oxo-2,3-dihydroquinoline-2-carboxylic acid Traditional Name: 1-(2-ethylpyrimidin-4-yl)-4-keto-7,8-dimethoxy-2,3-dihydroquinoline-2-carboxylic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=N1)N2C(CC(=O)C3=C2C(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CCC1=NC=CC(=N1)N2C(CC(=O)C3=C2C(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C18H19N3O5/c1-4-14-19-8-7-15(20-14)21-11(18(23)24)9-12(22)10-5-6-13(25-2)17(26-3)16(10)21/h5-8,11H,4,9H2,1-3H3,(H,23,24)