2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]acetamide Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H28N2O4/c1-4-30-23-12-19-11-16(2)31-24(19)13-20(23)15-26-25(29)14-22-21-8-6-5-7-18(21)9-10-27(22)17(3)28/h5-10,12-13,16,22H,4,11,14-15H2,1-3H3,(H,26,29)/t16-,22-/m0/s1