dimethyl 3-[(4-carbamimidoylphenyl)amino]-5-(hydroxymethyl)benzene-1,2-dicarboxylate hydrochloride

Systemtic Name: dimethyl 3-[(4-carbamimidoylphenyl)amino]-5-(hydroxymethyl)benzene-1,2-dicarboxylate hydrochloride Openeye Name: dimethyl 3-(4-carbamimidoylanilino)-5-(hydroxymethyl)benzene-1,2-dicarboxylate hydrochloride CAS Name: 3-(4-carbamimidoylanilino)-5-(hydroxymethyl)benzene-1,2-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 3-(4-carbamimidoylanilino)-5-(hydroxymethyl)benzene-1,2-dicarboxylate hydrochloride Traditional Name: 3-(4-amidinoanilino)-5-methylol-benzene-1,2-dicarboxylic acid dimethyl ester hydrochloride Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1C(=O)OC)NC2=CC=C(C=C2)C(=N)N)CO.Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1C(=O)OC)NC2=CC=C(C=C2)C(=N)N)CO.Cl

InChI

InChI=1S/C18H19N3O5.ClH/c1-25-17(23)13-7-10(9-22)8-14(15(13)18(24)26-2)21-12-5-3-11(4-6-12)16(19)20;/h3-8,21-22H,9H2,1-2H3,(H3,19,20);1H