6-[(4-carbamimidoylphenyl)amino]-2,3-dimethoxy-4-methoxycarbonyl-benzoic acid

Systemtic Name: 6-[(4-carbamimidoylphenyl)amino]-2,3-dimethoxy-4-methoxycarbonyl-benzoic acid Openeye Name: 6-(4-carbamimidoylanilino)-2,3-dimethoxy-4-methoxycarbonyl-benzoic acid CAS Name: 6-(4-carbamimidoylanilino)-2,3-dimethoxy-4-methoxycarbonylbenzoic acid IUPAC Name: 6-(4-carbamimidoylanilino)-2,3-dimethoxy-4-methoxycarbonylbenzoic acid Traditional Name: 6-(4-amidinoanilino)-4-carbomethoxy-2,3-dimethoxy-benzoic acid Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C(=O)OC)NC2=CC=C(C=C2)C(=N)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1C(=O)OC)NC2=CC=C(C=C2)C(=N)N)C(=O)O)OC

InChI

InChI=1S/C18H19N3O6/c1-25-14-11(18(24)27-3)8-12(13(17(22)23)15(14)26-2)21-10-6-4-9(5-7-10)16(19)20/h4-8,21H,1-3H3,(H3,19,20)(H,22,23)