methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(homopiperonylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO5/c1-24-20(23)16-6-2-14(3-7-16)5-9-19(22)21-11-10-15-4-8-17-18(12-15)26-13-25-17/h2-9,12H,10-11,13H2,1H3,(H,21,22)/b9-5+