N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluoranyl-4-methyl-phenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluoranyl-4-methyl-phenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluoro-4-methyl-phenyl)isoxazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(3-fluoro-4-methyl-phenyl)-N-homoveratryl-isoxazole-3-carboxamide Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)F

InChI

InChI=1S/C21H21FN2O4/c1-13-4-6-15(11-16(13)22)19-12-17(24-28-19)21(25)23-9-8-14-5-7-18(26-2)20(10-14)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)