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

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C29H32N4O6 MolecularWeight: 532.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C(NC(=O)N3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C(NC(=O)N3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H32N4O6/c1-3-5-6-12-17-33-26(34)21-16-11-10-15-20(21)25(32-33)28(36)39-18-22-23(27(35)38-4-2)24(31-29(37)30-22)19-13-8-7-9-14-19/h7-11,13-16,24H,3-6,12,17-18H2,1-2H3,(H2,30,31,37)