4-[[7-methyl-6-oxidanylidene-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[7-methyl-6-oxidanylidene-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[7-methyl-6-oxo-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[7-methyl-6-oxo-2-(3-phenylprop-1-ynyl)-5-furo[2,3-b]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[7-methyl-6-oxo-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[6-keto-7-methyl-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C1=O)CC3=CC=C(C=C3)C(=O)O)C=C(O2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C1=O)CC3=CC=C(C=C3)C(=O)O)C=C(O2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C25H19NO4/c1-26-23(27)20(14-18-10-12-19(13-11-18)25(28)29)15-21-16-22(30-24(21)26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,15-16H,8,14H2,1H3,(H,28,29)