[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-propoxyphenoxy)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-propoxyphenoxy)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-propoxyphenoxy)acetate CAS Name: 2-(2-propoxyphenoxy)acetic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate Traditional Name: 2-(2-propoxyphenoxy)acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC1=CC=CC=C1OCC(=O)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25NO7/c1-3-10-26-17-6-4-5-7-18(17)27-13-21(24)30-15(2)22(25)23-12-16-8-9-19-20(11-16)29-14-28-19/h4-9,11,15H,3,10,12-14H2,1-2H3,(H,23,25)/t15-/m1/s1