N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(5-methylpyrazol-1-yl)benzamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

InChI

InChI=1S/C23H25N3O3/c1-4-28-21-12-18-11-16(3)29-22(18)13-19(21)14-24-23(27)17-5-7-20(8-6-17)26-15(2)9-10-25-26/h5-10,12-13,16H,4,11,14H2,1-3H3,(H,24,27)/t16-/m0/s1