4-[(3aS,4R,7S,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

Systemtic Name: 4-[(3aS,4R,7S,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide Openeye Name: 4-[(3aS,4R,7S,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine CAS Name: 4-[(3aS,4R,7S,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide IUPAC Name: 4-[(3aS,4R,7S,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide Traditional Name: 4-[(3aS,4R,7S,8aS,8bR)-1,3-diketo-7-methoxy-2-piperonyl-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine Formula: C25H26N4O5 MolecularWeight: 462.49774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC2C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CO[C@H]1C[C@H]2[C@H]3[C@@H]([C@@H](N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N4O5/c1-32-16-9-17-20-21(22(28(17)11-16)14-3-5-15(6-4-14)23(26)27)25(31)29(24(20)30)10-13-2-7-18-19(8-13)34-12-33-18/h2-8,16-17,20-22H,9-12H2,1H3,(H3,26,27)/t16-,17-,20-,21-,22-/m0/s1