methyl 4-[5-oxidanylidene-4-(propanoylamino)chromeno[4,3-d]pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[5-oxidanylidene-4-(propanoylamino)chromeno[4,3-d]pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[5-oxo-4-(propanoylamino)chromeno[4,3-d]pyrimidin-2-yl]benzoate CAS Name: 4-[5-oxo-4-(1-oxopropylamino)-2-[1]benzopyrano[4,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-oxo-4-(propanoylamino)chromeno[4,3-d]pyrimidin-2-yl]benzoate Traditional Name: 4-(5-keto-4-propionamido-chromeno[4,3-d]pyrimidin-2-yl)benzoic acid methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=NC2=C1C(=O)OC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=NC(=NC2=C1C(=O)OC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H17N3O5/c1-3-16(26)23-20-17-18(14-6-4-5-7-15(14)30-22(17)28)24-19(25-20)12-8-10-13(11-9-12)21(27)29-2/h4-11H,3H2,1-2H3,(H,23,24,25,26)