4-[2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-hydroxy-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-oxo-propyl]benzoic acid CAS Name: 4-[3-hydroxy-2-[[[2-[[1H-indol-2-yl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-hydroxy-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-oxopropyl]benzoic acid Traditional Name: 4-[3-hydroxy-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-keto-propyl]benzoic acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)C(=O)NC3=CC=CC=C3C(=O)NC(CC4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)C(=O)NC3=CC=CC=C3C(=O)NC(CC4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H21N3O6/c30-23(29-22(26(34)35)13-15-9-11-16(12-10-15)25(32)33)18-6-2-4-8-20(18)28-24(31)21-14-17-5-1-3-7-19(17)27-21/h1-12,14,22,27H,13H2,(H,28,31)(H,29,30)(H,32,33)(H,34,35)