(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C21H23N3O5/c1-4-15-12(3)18(13-8-6-7-9-16(13)23-15)20(26)29-11-17-14(19(25)28-5-2)10-22-21(27)24-17/h6-9H,4-5,10-11H2,1-3H3,(H2,22,24,27)