3-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-carboxyphenyl)benzoic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-carboxyphenyl)benzoic acid Openeye Name: 3-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-carboxyphenyl)benzoic acid CAS Name: 3-[(4-carbamimidoylanilino)-oxomethyl]-4-(2-carboxyphenyl)benzoic acid IUPAC Name: 3-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-carboxyphenyl)benzoic acid Traditional Name: 3-[(4-amidinophenyl)carbamoyl]-4-(2-carboxyphenyl)benzoic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5/c23-19(24)12-5-8-14(9-6-12)25-20(26)18-11-13(21(27)28)7-10-16(18)15-3-1-2-4-17(15)22(29)30/h1-11H,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)