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

Systemtic Name: 3-methoxycarbonyl-2-methyl-7-oxidanylidene-1,4-bis(phenylmethyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid Openeye Name: 1,4-dibenzyl-3-methoxycarbonyl-2-methyl-7-oxo-pyrrolo[3,2-b]pyridine-6-carboxylic acid CAS Name: 3-methoxycarbonyl-2-methyl-7-oxo-1,4-bis(phenylmethyl)-6-pyrrolo[3,2-b]pyridinecarboxylic acid IUPAC Name: 1,4-dibenzyl-3-methoxycarbonyl-2-methyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid Traditional Name: 1,4-dibenzyl-3-carbomethoxy-7-keto-2-methyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C(=CN2CC4=CC=CC=C4)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C(=CN2CC4=CC=CC=C4)C(=O)O)C(=O)OC

InChI

InChI=1S/C25H22N2O5/c1-16-20(25(31)32-2)21-22(27(16)14-18-11-7-4-8-12-18)23(28)19(24(29)30)15-26(21)13-17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3,(H,29,30)