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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-27-19-9-16-8-14(2)28-20(16)10-17(19)11-23-21(26)15-4-6-18(7-5-15)25-13-22-12-24-25/h4-7,9-10,12-14H,3,8,11H2,1-2H3,(H,23,26)/t14-/m0/s1