2-[6-[(4-carbamimidoylphenyl)carbamoyl]isoquinolin-7-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]isoquinolin-7-yl]benzoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-7-isoquinolyl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-7-isoquinolinyl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]isoquinolin-7-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-7-isoquinolyl]benzoic acid Formula: C24H18N4O3 MolecularWeight: 410.42472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C3C=CN=CC3=C2)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C3C=CN=CC3=C2)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H18N4O3/c25-22(26)14-5-7-17(8-6-14)28-23(29)21-11-15-9-10-27-13-16(15)12-20(21)18-3-1-2-4-19(18)24(30)31/h1-13H,(H3,25,26)(H,28,29)(H,30,31)