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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (3R)-3-phenylbutanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic 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] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)O[C@H](C)C(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-14(17-6-4-3-5-7-17)10-20(23)27-15(2)21(24)22-12-16-8-9-18-19(11-16)26-13-25-18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,22,24)/t14-,15-/m1/s1