1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid piperonyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-14(2)20(22-19(23)11-15-6-4-3-5-7-15)21(24)25-12-16-8-9-17-18(10-16)27-13-26-17/h3-10,14,20H,11-13H2,1-2H3,(H,22,23)/t20-/m0/s1