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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-15-4-2-5-17(10-15)25-9-3-6-21(24)26-13-20(23)22-12-16-7-8-18-19(11-16)28-14-27-18/h2,4-5,7-8,10-11H,3,6,9,12-14H2,1H3,(H,22,23)