5-cyano-2-[[7-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]-1H-indol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[7-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-[(5-methoxy-5-oxo-pentanoyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[7-[(5-methoxy-1,5-dioxopentyl)amino]-1H-indol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-[(5-methoxy-5-oxopentanoyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-[(5-keto-5-methoxy-pentanoyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O6/c1-33-20(29)7-3-6-19(28)25-17-5-2-4-14-11-18(26-21(14)17)22(30)27-16-9-8-13(12-24)10-15(16)23(31)32/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,25,28)(H,27,30)(H,31,32)