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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (2R)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-(p-toluoylamino)butyric acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H22ClNO5/c1-12(2)18(23-20(24)15-6-4-13(3)5-7-15)21(25)26-10-14-8-16(22)19-17(9-14)27-11-28-19/h4-9,12,18H,10-11H2,1-3H3,(H,23,24)/t18-/m1/s1