methyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butoxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OC

InChI

InChI=1S/C17H22N2O4/c1-4-5-10-23-13-8-6-12(7-9-13)15-14(16(20)22-3)11(2)18-17(21)19-15/h6-9,15H,4-5,10H2,1-3H3,(H2,18,19,21)/t15-/m0/s1