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

Systemtic Name: dimethyl 5-[(4-carbamimidoylphenyl)amino]-2,3-dimethoxy-benzene-1,4-dicarboxylate ethanoate Openeye Name: dimethyl 5-(4-carbamimidoylanilino)-2,3-dimethoxy-benzene-1,4-dicarboxylate acetate CAS Name: 5-(4-carbamimidoylanilino)-2,3-dimethoxybenzene-1,4-dicarboxylic acid dimethyl ester acetate IUPAC Name: dimethyl 5-(4-carbamimidoylanilino)-2,3-dimethoxybenzene-1,4-dicarboxylate acetate Traditional Name: 5-(4-amidinoanilino)-2,3-dimethoxy-benzene-1,4-dicarboxylic acid dimethyl ester acetate Formula: C21H24N3O8- MolecularWeight: 446.43056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C(=C(C=C1C(=O)OC)NC2=CC=C(C=C2)C(=N)N)C(=O)OC)OC

Isomeric SMILES

CC(=O)[O-].COC1=C(C(=C(C=C1C(=O)OC)NC2=CC=C(C=C2)C(=N)N)C(=O)OC)OC

InChI

InChI=1S/C19H21N3O6.C2H4O2/c1-25-15-12(18(23)27-3)9-13(14(16(15)26-2)19(24)28-4)22-11-7-5-10(6-8-11)17(20)21;1-2(3)4/h5-9,22H,1-4H3,(H3,20,21);1H3,(H,3,4)/p-1