2-ethoxycarbonyl-3-(2-methylpyrimidin-5-yl)-5-oxidanylidene-non-8-enoic acid

Systemtic Name: 2-ethoxycarbonyl-3-(2-methylpyrimidin-5-yl)-5-oxidanylidene-non-8-enoic acid Openeye Name: 2-ethoxycarbonyl-3-(2-methylpyrimidin-5-yl)-5-oxo-non-8-enoic acid CAS Name: 2-ethoxycarbonyl-3-(2-methyl-5-pyrimidinyl)-5-oxo-8-nonenoic acid IUPAC Name: 2-ethoxycarbonyl-3-(2-methylpyrimidin-5-yl)-5-oxonon-8-enoic acid Traditional Name: 2-carbethoxy-5-keto-3-(2-methylpyrimidin-5-yl)non-8-enoic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)CCC=C)C1=CN=C(N=C1)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(C(CC(=O)CCC=C)C1=CN=C(N=C1)C)C(=O)O

InChI

InChI=1S/C17H22N2O5/c1-4-6-7-13(20)8-14(12-9-18-11(3)19-10-12)15(16(21)22)17(23)24-5-2/h4,9-10,14-15H,1,5-8H2,2-3H3,(H,21,22)