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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H21NO5/c1-11(2)3-6-16(19)20-9-15(18)17-8-12-4-5-13-14(7-12)22-10-21-13/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,17,18)