(2E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-hepta-2,6-dien-1-one

Systemtic Name: (2E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-hepta-2,6-dien-1-one Openeye Name: (2E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-hepta-2,6-dien-1-one CAS Name: (2E,6E)-7-(1,3-benzodioxol-5-yl)-1-(1-pyrrolidinyl)-1-hepta-2,6-dienone IUPAC Name: (2E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylhepta-2,6-dien-1-one Traditional Name: (2E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidino-hepta-2,6-dien-1-one Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C=CCCC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCN(C1)C(=O)/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3+,8-4+