5-[[(2,4,5,6-tetramethylpyridin-3-yl)carbonylamino]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[[(2,4,5,6-tetramethylpyridin-3-yl)carbonylamino]methyl]-1H-indole-2-carboxylic acid Openeye Name: 5-[[(2,4,5,6-tetramethylpyridine-3-carbonyl)amino]methyl]-1H-indole-2-carboxylic acid CAS Name: 5-[[[oxo-(2,4,5,6-tetramethyl-3-pyridinyl)methyl]amino]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[(2,4,5,6-tetramethylpyridine-3-carbonyl)amino]methyl]-1H-indole-2-carboxylic acid Traditional Name: 5-[[(2,4,5,6-tetramethylnicotinoyl)amino]methyl]-1H-indole-2-carboxylic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)NCC2=CC3=C(C=C2)NC(=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)NCC2=CC3=C(C=C2)NC(=C3)C(=O)O)C)C

InChI

InChI=1S/C20H21N3O3/c1-10-11(2)18(13(4)22-12(10)3)19(24)21-9-14-5-6-16-15(7-14)8-17(23-16)20(25)26/h5-8,23H,9H2,1-4H3,(H,21,24)(H,25,26)