2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-5-oxidanyl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-5-oxidanyl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-hydroxy-5-methoxy-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-hydroxy-5-methoxyphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-hydroxy-5-methoxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-hydroxy-5-methoxy-phenyl)acetate hydrochloride Formula: C16H17ClN3O4- MolecularWeight: 350.77688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)O)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)O)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C16H17N3O4.ClH/c1-23-13-7-10(6-12(20)8-13)14(16(21)22)19-11-4-2-9(3-5-11)15(17)18;/h2-8,14,19-20H,1H3,(H3,17,18)(H,21,22);1H/p-1