3-methoxycarbonyl-2-methyl-7-oxidanylidene-1-(phenylmethyl)-4-prop-2-enyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 3-methoxycarbonyl-2-methyl-7-oxidanylidene-1-(phenylmethyl)-4-prop-2-enyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Openeye Name: 4-allyl-1-benzyl-3-methoxycarbonyl-2-methyl-7-oxo-pyrrolo[3,2-b]pyridine-6-carboxylic acid CAS Name: 3-methoxycarbonyl-2-methyl-7-oxo-1-(phenylmethyl)-4-prop-2-enyl-6-pyrrolo[3,2-b]pyridinecarboxylic acid IUPAC Name: 1-benzyl-3-methoxycarbonyl-2-methyl-7-oxo-4-prop-2-enylpyrrolo[3,2-b]pyridine-6-carboxylic acid Traditional Name: 4-allyl-1-benzyl-3-carbomethoxy-7-keto-2-methyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C(=CN2CC=C)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C(=CN2CC=C)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-4-10-22-12-15(20(25)26)19(24)18-17(22)16(21(27)28-3)13(2)23(18)11-14-8-6-5-7-9-14/h4-9,12H,1,10-11H2,2-3H3,(H,25,26)