(4-carbamimidoylphenyl) (E)-3-[5-(methoxymethyl)-2-oxidanyl-phenyl]prop-2-enoate hydrochloride

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-[5-(methoxymethyl)-2-oxidanyl-phenyl]prop-2-enoate hydrochloride Openeye Name: (4-carbamimidoylphenyl) (E)-3-[2-hydroxy-5-(methoxymethyl)phenyl]prop-2-enoate hydrochloride CAS Name: (E)-3-[2-hydroxy-5-(methoxymethyl)phenyl]-2-propenoic acid (4-carbamimidoylphenyl) ester hydrochloride IUPAC Name: (4-carbamimidoylphenyl) (E)-3-[2-hydroxy-5-(methoxymethyl)phenyl]prop-2-enoate hydrochloride Traditional Name: (E)-3-[2-hydroxy-5-(methoxymethyl)phenyl]acrylic acid (4-amidinophenyl) ester hydrochloride Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=C(C=C1)O)C=CC(=O)OC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COCC1=CC(=C(C=C1)O)/C=C/C(=O)OC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C18H18N2O4.ClH/c1-23-11-12-2-8-16(21)14(10-12)5-9-17(22)24-15-6-3-13(4-7-15)18(19)20;/h2-10,21H,11H2,1H3,(H3,19,20);1H/b9-5+;