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

Systemtic Name: 5-cyano-2-[[7-(cyclohexylcarbonylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-(cyclohexanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[7-[[cyclohexyl(oxo)methyl]amino]-1H-indol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-(cyclohexanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-(cyclohexanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C24H22N4O4/c25-13-14-9-10-18(17(11-14)24(31)32)27-23(30)20-12-16-7-4-8-19(21(16)26-20)28-22(29)15-5-2-1-3-6-15/h4,7-12,15,26H,1-3,5-6H2,(H,27,30)(H,28,29)(H,31,32)