(4-carbamimidoylphenyl) (E)-3-(4-methoxy-2-oxidanyl-phenyl)but-2-enoate hydrochloride

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-(4-methoxy-2-oxidanyl-phenyl)but-2-enoate hydrochloride Openeye Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-4-methoxy-phenyl)but-2-enoate hydrochloride CAS Name: (E)-3-(2-hydroxy-4-methoxyphenyl)-2-butenoic acid (4-carbamimidoylphenyl) ester hydrochloride IUPAC Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-4-methoxyphenyl)but-2-enoate hydrochloride Traditional Name: (E)-3-(2-hydroxy-4-methoxy-phenyl)but-2-enoic acid (4-amidinophenyl) ester hydrochloride Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4.ClH/c1-11(15-8-7-14(23-2)10-16(15)21)9-17(22)24-13-5-3-12(4-6-13)18(19)20;/h3-10,21H,1-2H3,(H3,19,20);1H/b11-9+;