(E)-N-[[(2S)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(2S)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-N-[[(2S)-5-(2-acetylphenyl)coumaran-2-yl]methyl]-3-(2-pyridyl)acrylamide Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C=CC4=CC=CC=N4

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C25H22N2O3/c1-17(28)22-7-2-3-8-23(22)18-9-11-24-19(14-18)15-21(30-24)16-27-25(29)12-10-20-6-4-5-13-26-20/h2-14,21H,15-16H2,1H3,(H,27,29)/b12-10+/t21-/m0/s1