diethyl 2-[5-ethoxycarbonyl-6-oxidanylidene-1-(phenylmethyl)-2,3-dihydropyridin-4-yl]propanedioate

Systemtic Name: diethyl 2-[5-ethoxycarbonyl-6-oxidanylidene-1-(phenylmethyl)-2,3-dihydropyridin-4-yl]propanedioate Openeye Name: diethyl 2-(1-benzyl-5-ethoxycarbonyl-6-oxo-2,3-dihydropyridin-4-yl)propanedioate CAS Name: 2-[5-ethoxycarbonyl-6-oxo-1-(phenylmethyl)-2,3-dihydropyridin-4-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-benzyl-5-ethoxycarbonyl-6-oxo-2,3-dihydropyridin-4-yl)propanedioate Traditional Name: 2-(1-benzyl-5-carbethoxy-6-keto-2,3-dihydropyridin-4-yl)malonic acid diethyl ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCN(C1=O)CC2=CC=CC=C2)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(CCN(C1=O)CC2=CC=CC=C2)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H27NO7/c1-4-28-20(25)17-16(18(21(26)29-5-2)22(27)30-6-3)12-13-23(19(17)24)14-15-10-8-7-9-11-15/h7-11,18H,4-6,12-14H2,1-3H3