[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H18FNO6 MolecularWeight: 387.358423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C20H18FNO6/c1-25-16-5-2-13(8-15(16)21)4-7-20(24)26-11-19(23)22-10-14-3-6-17-18(9-14)28-12-27-17/h2-9H,10-12H2,1H3,(H,22,23)/b7-4+