2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-hydroxy-4-oxo-butyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-hydroxy-4-oxobutyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(4-hydroxy-4-keto-butyl)carbamoyl]benzoic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H24N4O6/c27-23(28)15-7-10-17(11-8-15)30-25(34)20-5-2-1-4-18(20)19-12-9-16(14-21(19)26(35)36)24(33)29-13-3-6-22(31)32/h1-2,4-5,7-12,14H,3,6,13H2,(H3,27,28)(H,29,33)(H,30,34)(H,31,32)(H,35,36)