(4-carbamimidoylphenyl) (E)-3-(3,5-dimethoxy-2-oxidanyl-phenyl)but-2-enoate hydrochloride

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-(3,5-dimethoxy-2-oxidanyl-phenyl)but-2-enoate hydrochloride Openeye Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-3,5-dimethoxy-phenyl)but-2-enoate hydrochloride CAS Name: (E)-3-(2-hydroxy-3,5-dimethoxyphenyl)-2-butenoic acid (4-carbamimidoylphenyl) ester hydrochloride IUPAC Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-3,5-dimethoxyphenyl)but-2-enoate hydrochloride Traditional Name: (E)-3-(2-hydroxy-3,5-dimethoxy-phenyl)but-2-enoic acid (4-amidinophenyl) ester hydrochloride Formula: C19H21ClN2O5 MolecularWeight: 392.83344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC1=CC=C(C=C1)C(=N)N)C2=CC(=CC(=C2O)OC)OC.Cl

Isomeric SMILES

C/C(=C\C(=O)OC1=CC=C(C=C1)C(=N)N)/C2=CC(=CC(=C2O)OC)OC.Cl

InChI

InChI=1S/C19H20N2O5.ClH/c1-11(15-9-14(24-2)10-16(25-3)18(15)23)8-17(22)26-13-6-4-12(5-7-13)19(20)21;/h4-10,23H,1-3H3,(H3,20,21);1H/b11-8+;