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

Systemtic Name: 4-[[7-methyl-4-oxidanylidene-2-(3-phenylprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[7-methyl-4-oxo-2-(3-phenylprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[7-methyl-4-oxo-2-(3-phenylprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]benzoic acid IUPAC Name: 4-[[7-methyl-4-oxo-2-(3-phenylprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-7-methyl-2-(3-phenylprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]benzoic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1NC(=C2)C#CCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1NC(=C2)C#CCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N2O3/c1-27-16-20(14-18-10-12-19(13-11-18)25(29)30)23(28)22-15-21(26-24(22)27)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,15-16,26H,8,14H2,1H3,(H,29,30)