(3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl 3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: (3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl 3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: (3-methoxycarbonyl-4-phenyl-2-quinolyl)methyl 3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 3,6-dimethyl-4-oxo-5-furo[2,3-d]pyrimidinecarboxylic acid (3-methoxycarbonyl-4-phenyl-2-quinolinyl)methyl ester IUPAC Name: (3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-3,6-dimethyl-furo[2,3-d]pyrimidine-5-carboxylic acid (3-carbomethoxy-4-phenyl-2-quinolyl)methyl ester Formula: C27H21N3O6 MolecularWeight: 483.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O6/c1-15-20(23-24(36-15)28-14-30(2)25(23)31)27(33)35-13-19-22(26(32)34-3)21(16-9-5-4-6-10-16)17-11-7-8-12-18(17)29-19/h4-12,14H,13H2,1-3H3