(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-2-methanoyl-phenoxy)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-2-methanoyl-phenoxy)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-formyl-phenoxy)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-formylphenoxy)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-formylphenoxy)propanamide Traditional Name: (2R)-2-(4-bromo-2-formyl-phenoxy)-N-piperonyl-propionamide Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C18H16BrNO5/c1-11(25-15-5-3-14(19)7-13(15)9-21)18(22)20-8-12-2-4-16-17(6-12)24-10-23-16/h2-7,9,11H,8,10H2,1H3,(H,20,22)/t11-/m1/s1