methyl 3-[(2R,3S,12bS)-2-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoate

Systemtic Name: methyl 3-[(2R,3S,12bS)-2-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoate Openeye Name: methyl 3-[(2R,3S,12bS)-2-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoate CAS Name: 3-[(2R,3S,12bS)-2-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R,3S,12bS)-2-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoate Traditional Name: 3-[(2R,3S,12bS)-2-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propionic acid methyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CN2CCC3=CC4=C(C=C3C2CC1CC#N)OCO4

Isomeric SMILES

COC(=O)CC[C@@H]1CN2CCC3=CC4=C(C=C3[C@@H]2C[C@@H]1CC#N)OCO4

InChI

InChI=1S/C20H24N2O4/c1-24-20(23)3-2-15-11-22-7-5-14-9-18-19(26-12-25-18)10-16(14)17(22)8-13(15)4-6-21/h9-10,13,15,17H,2-5,7-8,11-12H2,1H3/t13-,15+,17-/m0/s1