3-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-homoveratryl-2-isoxazoline-5-carboxamide Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C20H21BrN2O4/c1-25-17-7-6-13(10-18(17)26-2)8-9-22-20(24)19-12-16(23-27-19)14-4-3-5-15(21)11-14/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,22,24)