N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-bromo-4-methoxy-phenyl)propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-bromo-4-methoxyphenyl)propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-bromo-4-methoxyphenyl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-homopiperonyl-propionamide Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C19H20BrNO4/c1-23-16-5-2-13(10-15(16)20)4-7-19(22)21-9-8-14-3-6-17-18(11-14)25-12-24-17/h2-3,5-6,10-11H,4,7-9,12H2,1H3,(H,21,22)