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

Systemtic Name: (5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-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-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid (5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-5-29-21(27)19-13(4)23-22(28)25-18(19)11-30-20(26)15-10-17(12(2)3)24-16-9-7-6-8-14(15)16/h6-10,12-13H,5,11H2,1-4H3,(H2,23,25,28)