2,3,7-trimethyl-4-oxidanylidene-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 2,3,7-trimethyl-4-oxidanylidene-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid Openeye Name: 1-benzyl-2,3,7-trimethyl-4-oxo-pyrrolo[2,3-b]pyridine-5-carboxylic acid CAS Name: 2,3,7-trimethyl-4-oxo-1-(phenylmethyl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-benzyl-2,3,7-trimethyl-4-oxopyrrolo[2,3-b]pyridine-5-carboxylic acid Traditional Name: 1-benzyl-4-keto-2,3,7-trimethyl-pyrrolo[2,3-b]pyridine-5-carboxylic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=O)C(=CN2C)C(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=O)C(=CN2C)C(=O)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O3/c1-11-12(2)20(9-13-7-5-4-6-8-13)17-15(11)16(21)14(18(22)23)10-19(17)3/h4-8,10H,9H2,1-3H3,(H,22,23)