2-chloranylprop-2-enyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: 2-chloranylprop-2-enyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: 2-chloroallyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid 2-chloroallyl ester Formula: C16H20ClNO3 MolecularWeight: 309.7879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=C)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=C)Cl

InChI

InChI=1S/C16H20ClNO3/c1-10(2)14(16(20)21-9-12(4)17)18-15(19)13-7-5-6-11(3)8-13/h5-8,10,14H,4,9H2,1-3H3,(H,18,19)/t14-/m0/s1