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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N3O5/c24-21(25)14-5-7-15(8-6-14)26-22(28)20-13-16(31-12-11-27)9-10-18(20)17-3-1-2-4-19(17)23(29)30/h1-10,13,27H,11-12H2,(H3,24,25)(H,26,28)(H,29,30)