(4S,5R)-N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxamide

Systemtic Name: (4S,5R)-N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxamide Openeye Name: (4S,5R)-5-allyl-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide CAS Name: (4S,5R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxamide IUPAC Name: (4S,5R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxamide Traditional Name: (4S,5R)-5-allyl-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide Formula: C21H26BrNO5 MolecularWeight: 452.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(=O)N(CCC=C)CC2=CC3=C(C=C2Br)OCO3)CC=C)C

Isomeric SMILES

CC1(O[C@@H]([C@H](O1)C(=O)N(CCC=C)CC2=CC3=C(C=C2Br)OCO3)CC=C)C

InChI

InChI=1S/C21H26BrNO5/c1-5-7-9-23(12-14-10-17-18(11-15(14)22)26-13-25-17)20(24)19-16(8-6-2)27-21(3,4)28-19/h5-6,10-11,16,19H,1-2,7-9,12-13H2,3-4H3/t16-,19+/m1/s1