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

Systemtic Name: 2-[[7-(butanoylamino)-1H-indol-2-yl]carbonylamino]-5-cyano-benzoic acid Openeye Name: 2-[[7-(butanoylamino)-1H-indole-2-carbonyl]amino]-5-cyano-benzoic acid CAS Name: 5-cyano-2-[[oxo-[7-(1-oxobutylamino)-1H-indol-2-yl]methyl]amino]benzoic acid IUPAC Name: 2-[[7-(butanoylamino)-1H-indole-2-carbonyl]amino]-5-cyanobenzoic acid Traditional Name: 2-[(7-butyramido-1H-indole-2-carbonyl)amino]-5-cyano-benzoic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-2-4-18(26)23-16-6-3-5-13-10-17(24-19(13)16)20(27)25-15-8-7-12(11-22)9-14(15)21(28)29/h3,5-10,24H,2,4H2,1H3,(H,23,26)(H,25,27)(H,28,29)