methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3,4-dimethylphenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,4-dimethylbenzyl)amino]-3-methyl-butyric acid methyl ester Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(C(C)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-10(2)14(15(17)18-5)16-9-13-7-6-11(3)12(4)8-13/h6-8,10,14,16H,9H2,1-5H3/t14-/m0/s1