[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-3-25-15-7-5-14(9-17(15)24-2)20(23)26-11-19(22)21-10-13-4-6-16-18(8-13)28-12-27-16/h4-9H,3,10-12H2,1-2H3,(H,21,22)