5-cyano-2-[[7-(3-phenylpropanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[7-(3-phenylpropanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-(3-phenylpropanoylamino)-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[oxo-[7-[(1-oxo-3-phenylpropyl)amino]-1H-indol-2-yl]methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-(3-phenylpropanoylamino)-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-(hydrocinnamoylamino)-1H-indole-2-carbonyl]amino]benzoic acid Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C26H20N4O4/c27-15-17-9-11-20(19(13-17)26(33)34)30-25(32)22-14-18-7-4-8-21(24(18)29-22)28-23(31)12-10-16-5-2-1-3-6-16/h1-9,11,13-14,29H,10,12H2,(H,28,31)(H,30,32)(H,33,34)