N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CC3=C(C=C2)OCCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CC3=C(C=C2)OCCO3)Br)OC

InChI

InChI=1S/C21H24BrNO5/c1-25-18-12-15(16(22)13-19(18)26-2)7-8-23-21(24)6-4-14-3-5-17-20(11-14)28-10-9-27-17/h3,5,11-13H,4,6-10H2,1-2H3,(H,23,24)