2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneoxolan-3-yl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneoxolan-3-yl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxotetrahydrofuran-3-yl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxo-3-oxolanyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxooxolan-3-yl]-1,3-benzoxazole-6-carboxamide Traditional Name: N-[(3S)-2-ketotetrahydrofuran-3-yl]-2-veratryl-1,3-benzoxazole-6-carboxamide Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NC4CCOC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N[C@H]4CCOC4=O)OC

InChI

InChI=1S/C21H20N2O6/c1-26-16-6-3-12(9-18(16)27-2)10-19-22-14-5-4-13(11-17(14)29-19)20(24)23-15-7-8-28-21(15)25/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,23,24)/t15-/m0/s1