N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-9H-xanthene-9-carboxamide Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

InChI

InChI=1S/C26H22N2O5/c1-30-22-12-11-16(13-24(22)31-2)23-14-17(28-33-23)15-27-26(29)25-18-7-3-5-9-20(18)32-21-10-6-4-8-19(21)25/h3-14,25H,15H2,1-2H3,(H,27,29)