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

Systemtic Name: (5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H21N3O5/c1-4-27-19(25)17-12(3)22-20(26)23-16(17)10-28-18(24)14-9-11(2)21-15-8-6-5-7-13(14)15/h5-9,12H,4,10H2,1-3H3,(H2,22,23,26)