N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H21BrN2O5/c1-26-17-7-5-4-6-14(17)18-12-16(24-29-18)21(25)23-9-8-13-10-19(27-2)20(28-3)11-15(13)22/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)