1,3-benzodioxol-5-yl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: 1,3-benzodioxol-5-yl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO5 MolecularWeight: 355.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

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