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

Systemtic Name: 5-cyano-2-[[7-(2-phenylethanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-[(2-phenylacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[oxo-[7-[(1-oxo-2-phenylethyl)amino]-1H-indol-2-yl]methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-[(2-phenylacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-[(2-phenylacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H18N4O4/c26-14-16-9-10-19(18(11-16)25(32)33)29-24(31)21-13-17-7-4-8-20(23(17)28-21)27-22(30)12-15-5-2-1-3-6-15/h1-11,13,28H,12H2,(H,27,30)(H,29,31)(H,32,33)