methyl (2S,3R)-2-azanyl-3-(2,4-dimethylphenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-2-azanyl-3-(2,4-dimethylphenyl)-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-2-amino-3-(2,4-dimethylphenyl)-3-hydroxy-propanoate CAS Name: (2S,3R)-2-amino-3-(2,4-dimethylphenyl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-amino-3-(2,4-dimethylphenyl)-3-hydroxypropanoate Traditional Name: (2S,3R)-2-amino-3-(2,4-dimethylphenyl)-3-hydroxy-propionic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(C(=O)OC)N)O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-7-4-5-9(8(2)6-7)11(14)10(13)12(15)16-3/h4-6,10-11,14H,13H2,1-3H3/t10-,11+/m0/s1