5-cyano-2-[[7-(propanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[7-(propanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-(propanoylamino)-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[oxo-[7-(1-oxopropylamino)-1H-indol-2-yl]methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-(propanoylamino)-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[(7-propionamido-1H-indole-2-carbonyl)amino]benzoic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC2=C1NC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC=CC2=C1NC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C20H16N4O4/c1-2-17(25)22-15-5-3-4-12-9-16(23-18(12)15)19(26)24-14-7-6-11(10-21)8-13(14)20(27)28/h3-9,23H,2H2,1H3,(H,22,25)(H,24,26)(H,27,28)