(E)-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(5-amidinocoumaran-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N)OC

InChI

InChI=1S/C22H25N3O4/c1-27-19-6-3-14(11-20(19)28-2)4-8-21(26)25-10-9-16-13-29-18-7-5-15(22(23)24)12-17(16)18/h3-8,11-12,16H,9-10,13H2,1-2H3,(H3,23,24)(H,25,26)/b8-4+