1,3-benzodioxol-5-yl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: 1,3-benzodioxol-5-yl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO5/c1-12(2)18(21-19(22)15-7-5-4-6-13(15)3)20(23)26-14-8-9-16-17(10-14)25-11-24-16/h4-10,12,18H,11H2,1-3H3,(H,21,22)/t18-/m0/s1