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

Systemtic Name: ethyl (4S)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-hexoxy-3-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCC)OC

InChI

InChI=1S/C21H30N2O5/c1-5-7-8-9-12-28-16-11-10-15(13-17(16)26-4)19-18(20(24)27-6-2)14(3)22-21(25)23-19/h10-11,13,19H,5-9,12H2,1-4H3,(H2,22,23,25)/t19-/m0/s1