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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (E)-3-(4-allyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxyphenyl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H21NO6/c1-2-11-26-18-7-3-16(4-8-18)6-10-22(25)27-14-21(24)23-13-17-5-9-19-20(12-17)29-15-28-19/h2-10,12H,1,11,13-15H2,(H,23,24)/b10-6+