5-[2-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[2-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]-1H-indole-2-carboxylic acid Openeye Name: 5-[2-(4-pyridylmethylcarbamoyl)-4-pyridyl]-1H-indole-2-carboxylic acid CAS Name: 5-[2-[oxo-(pyridin-4-ylmethylamino)methyl]-4-pyridinyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[2-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]-1H-indole-2-carboxylic acid Traditional Name: 5-[2-(4-pyridylmethylcarbamoyl)-4-pyridyl]-1H-indole-2-carboxylic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=CC(=NC=C3)C(=O)NCC4=CC=NC=C4)C=C(N2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C3=CC(=NC=C3)C(=O)NCC4=CC=NC=C4)C=C(N2)C(=O)O

InChI

InChI=1S/C21H16N4O3/c26-20(24-12-13-3-6-22-7-4-13)18-10-15(5-8-23-18)14-1-2-17-16(9-14)11-19(25-17)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)