(E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-piperidin-1-yl-hept-2-en-1-one

Systemtic Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-piperidin-1-yl-hept-2-en-1-one Openeye Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylene)-1-(1-piperidyl)hept-2-en-1-one CAS Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(1-piperidinyl)-2-hepten-1-one IUPAC Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-piperidin-1-ylhept-2-en-1-one Traditional Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-4-propyl-penta-2,4-dien-1-one Formula: C20H25NO3 MolecularWeight: 327.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC2=C(C=C1)OCO2)C=CC(=O)N3CCCCC3

Isomeric SMILES

CCC/C(=C\C1=CC2=C(C=C1)OCO2)/C=C/C(=O)N3CCCCC3

InChI

InChI=1S/C20H25NO3/c1-2-6-16(8-10-20(22)21-11-4-3-5-12-21)13-17-7-9-18-19(14-17)24-15-23-18/h7-10,13-14H,2-6,11-12,15H2,1H3/b10-8+,16-13+