N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-phenyl-triazole-4-carboxamide 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=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

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