1-(carboxymethyl)-2-methyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-methyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Openeye Name: 3-benzoyl-1-(carboxymethyl)-2-methyl-7-oxo-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid CAS Name: 3-benzoyl-1-(carboxymethyl)-2-methyl-7-oxo-4-prop-2-ynyl-6-pyrrolo[3,2-b]pyridinecarboxylic acid IUPAC Name: 3-benzoyl-1-(carboxymethyl)-2-methyl-7-oxo-4-prop-2-ynylpyrrolo[3,2-b]pyridine-6-carboxylic acid Traditional Name: 3-benzoyl-1-(carboxymethyl)-7-keto-2-methyl-4-propargyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C(=O)C(=CN2CC#C)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C(=O)C(=CN2CC#C)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O6/c1-3-9-22-10-14(21(28)29)20(27)18-17(22)16(12(2)23(18)11-15(24)25)19(26)13-7-5-4-6-8-13/h1,4-8,10H,9,11H2,2H3,(H,24,25)(H,28,29)