4-oxidanylidene-4-[[4-[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1H-benzimidazol-2-yl]phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1H-benzimidazol-2-yl]phenyl]amino]butanoic acid Openeye Name: 4-[4-[6-[(4-hydroxy-4-oxo-butanoyl)amino]-1H-benzimidazol-2-yl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[6-[(4-hydroxy-1,4-dioxobutyl)amino]-1H-benzimidazol-2-yl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[6-[(4-hydroxy-4-oxobutanoyl)amino]-1H-benzimidazol-2-yl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[6-[(4-hydroxy-4-keto-butanoyl)amino]-1H-benzimidazol-2-yl]anilino]-4-keto-butyric acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H20N4O6/c26-17(7-9-19(28)29)22-13-3-1-12(2-4-13)21-24-15-6-5-14(11-16(15)25-21)23-18(27)8-10-20(30)31/h1-6,11H,7-10H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H,30,31)