4-oxidanylidene-4-[[3-[3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]carbonylphenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-[3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]carbonylphenyl]amino]butanoic acid Openeye Name: 4-[3-[3-[(4-hydroxy-4-oxo-butanoyl)amino]benzoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[[3-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[3-[(4-hydroxy-4-oxobutanoyl)amino]benzoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-[3-[(4-hydroxy-4-keto-butanoyl)amino]benzoyl]anilino]-4-keto-butyric acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H20N2O7/c24-17(7-9-19(26)27)22-15-5-1-3-13(11-15)21(30)14-4-2-6-16(12-14)23-18(25)8-10-20(28)29/h1-6,11-12H,7-10H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)