methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(3-methylbutyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(3-methylbutyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-isopentyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(3-methylbutyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-(3-methylbutyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-isoamyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCC(C)C)C2=CC=C(C=C2)OCC#N)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1CCC(C)C)C2=CC=C(C=C2)OCC#N)C(=O)OC

InChI

InChI=1S/C20H25N3O4/c1-13(2)9-11-23-14(3)17(19(24)26-4)18(22-20(23)25)15-5-7-16(8-6-15)27-12-10-21/h5-8,13,18H,9,11-12H2,1-4H3,(H,22,25)/t18-/m1/s1