[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-13(2)15-4-6-16(7-5-15)20(23)24-11-19(22)21-10-14-3-8-17-18(9-14)26-12-25-17/h3-9,13H,10-12H2,1-2H3,(H,21,22)