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

Systemtic Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-methyl-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-methyl-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methyl-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-(5-amidinocoumaran-3-yl)ethyl]-2-methyl-3-phenyl-acrylamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N3O2/c1-14(11-15-5-3-2-4-6-15)21(25)24-10-9-17-13-26-19-8-7-16(20(22)23)12-18(17)19/h2-8,11-12,17H,9-10,13H2,1H3,(H3,22,23)(H,24,25)/b14-11+