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

Systemtic Name: 3-methylbutyl (4S)-6-methyl-2-oxidanylidene-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopentyl (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCCC(C)C

InChI

InChI=1S/C20H28N2O4/c1-5-11-25-16-8-6-15(7-9-16)18-17(14(4)21-20(24)22-18)19(23)26-12-10-13(2)3/h6-9,13,18H,5,10-12H2,1-4H3,(H2,21,22,24)/t18-/m0/s1