2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(carboxymethylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(carboxymethylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(carboxymethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(carboxymethylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(carboxymethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(carboxymethylcarbamoyl)benzoic acid Formula: C24H20N4O6 MolecularWeight: 460.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H20N4O6/c25-21(26)13-5-8-15(9-6-13)28-23(32)18-4-2-1-3-16(18)17-10-7-14(11-19(17)24(33)34)22(31)27-12-20(29)30/h1-11H,12H2,(H3,25,26)(H,27,31)(H,28,32)(H,29,30)(H,33,34)