methyl (E)-2-phenyl-3-[5-(N'-propan-2-ylcarbamimidoyl)furan-2-yl]prop-2-enoate hydrochloride

Systemtic Name: methyl (E)-2-phenyl-3-[5-(N'-propan-2-ylcarbamimidoyl)furan-2-yl]prop-2-enoate hydrochloride Openeye Name: methyl (E)-3-[5-(N'-isopropylcarbamimidoyl)-2-furyl]-2-phenyl-prop-2-enoate hydrochloride CAS Name: (E)-3-[5-[amino(propan-2-ylimino)methyl]-2-furanyl]-2-phenyl-2-propenoic acid methyl ester hydrochloride IUPAC Name: methyl (E)-2-phenyl-3-[5-(N'-propan-2-ylcarbamimidoyl)furan-2-yl]prop-2-enoate hydrochloride Traditional Name: (E)-3-[5-(N'-isopropylamidino)-2-furyl]-2-phenyl-acrylic acid methyl ester hydrochloride Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(O1)C=C(C2=CC=CC=C2)C(=O)OC)N.Cl

Isomeric SMILES

CC(C)N=C(C1=CC=C(O1)/C=C(\C2=CC=CC=C2)/C(=O)OC)N.Cl

InChI

InChI=1S/C18H20N2O3.ClH/c1-12(2)20-17(19)16-10-9-14(23-16)11-15(18(21)22-3)13-7-5-4-6-8-13;/h4-12H,1-3H3,(H2,19,20);1H/b15-11+;