4-[6-(4-cyanophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[6-(4-cyanophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(4-cyanophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(4-cyanophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(4-cyanophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C18H19N3O5/c1-11-15(17(24)26-2)16(13-7-5-12(10-19)6-8-13)20-18(25)21(11)9-3-4-14(22)23/h5-8,16H,3-4,9H2,1-2H3,(H,20,25)(H,22,23)