1-[3-(2-acetyloxyethyl)-2-ethyl-4H-pyrimidin-4-yl]-7,8-dimethoxy-4-oxidanylidene-2,3-dihydroquinoline-2-carboxylic acid

Systemtic Name: 1-[3-(2-acetyloxyethyl)-2-ethyl-4H-pyrimidin-4-yl]-7,8-dimethoxy-4-oxidanylidene-2,3-dihydroquinoline-2-carboxylic acid Openeye Name: 1-[3-(2-acetoxyethyl)-2-ethyl-4H-pyrimidin-4-yl]-7,8-dimethoxy-4-oxo-2,3-dihydroquinoline-2-carboxylic acid CAS Name: 1-[3-(2-acetyloxyethyl)-2-ethyl-4H-pyrimidin-4-yl]-7,8-dimethoxy-4-oxo-2,3-dihydroquinoline-2-carboxylic acid IUPAC Name: 1-[3-(2-acetyloxyethyl)-2-ethyl-4H-pyrimidin-4-yl]-7,8-dimethoxy-4-oxo-2,3-dihydroquinoline-2-carboxylic acid Traditional Name: 1-[3-(2-acetoxyethyl)-2-ethyl-4H-pyrimidin-4-yl]-4-keto-7,8-dimethoxy-2,3-dihydroquinoline-2-carboxylic acid Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(N1CCOC(=O)C)N2C(CC(=O)C3=C2C(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CCC1=NC=CC(N1CCOC(=O)C)N2C(CC(=O)C3=C2C(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C22H27N3O7/c1-5-18-23-9-8-19(24(18)10-11-32-13(2)26)25-15(22(28)29)12-16(27)14-6-7-17(30-3)21(31-4)20(14)25/h6-9,15,19H,5,10-12H2,1-4H3,(H,28,29)