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

Systemtic Name: 5-methyl-4-oxidanylidene-7-phenyl-1-(phenylmethyl)-6-prop-2-enyl-pyrrolo[3,4-b]pyridine-3-carboxylic acid Openeye Name: 6-allyl-1-benzyl-5-methyl-4-oxo-7-phenyl-pyrrolo[3,4-b]pyridine-3-carboxylic acid CAS Name: 5-methyl-4-oxo-7-phenyl-1-(phenylmethyl)-6-prop-2-enyl-3-pyrrolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-benzyl-5-methyl-4-oxo-7-phenyl-6-prop-2-enylpyrrolo[3,4-b]pyridine-3-carboxylic acid Traditional Name: 6-allyl-1-benzyl-4-keto-5-methyl-7-phenyl-pyrrolo[3,4-b]pyridine-3-carboxylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(N1CC=C)C3=CC=CC=C3)N(C=C(C2=O)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(N1CC=C)C3=CC=CC=C3)N(C=C(C2=O)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-3-14-27-17(2)21-23(22(27)19-12-8-5-9-13-19)26(15-18-10-6-4-7-11-18)16-20(24(21)28)25(29)30/h3-13,16H,1,14-15H2,2H3,(H,29,30)