[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H23NO5/c1-11(2)9-18-17(20)12(3)23-16(19)7-5-13-4-6-14-15(8-13)22-10-21-14/h4,6,8,11-12H,5,7,9-10H2,1-3H3,(H,18,20)