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

Systemtic Name: 5-cyano-2-[[7-(2-cyclopentylethanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-[(2-cyclopentylacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[7-[(2-cyclopentyl-1-oxoethyl)amino]-1H-indol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-[(2-cyclopentylacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-[(2-cyclopentylacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C24H22N4O4/c25-13-15-8-9-18(17(10-15)24(31)32)28-23(30)20-12-16-6-3-7-19(22(16)27-20)26-21(29)11-14-4-1-2-5-14/h3,6-10,12,14,27H,1-2,4-5,11H2,(H,26,29)(H,28,30)(H,31,32)