ethyl 4-(4-heptoxy-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-heptoxy-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-heptoxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-heptoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-heptoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-heptoxy-3-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OC

InChI

InChI=1S/C22H32N2O5/c1-5-7-8-9-10-13-29-17-12-11-16(14-18(17)27-4)20-19(21(25)28-6-2)15(3)23-22(26)24-20/h11-12,14,20H,5-10,13H2,1-4H3,(H2,23,24,26)