(3,5-dimethylphenyl)methyl (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid (3,5-dimethylbenzyl) ester Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CC=CC=C2)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)[C@H](CC2=CC=CC=C2)N)C

InChI

InChI=1S/C18H21NO2/c1-13-8-14(2)10-16(9-13)12-21-18(20)17(19)11-15-6-4-3-5-7-15/h3-10,17H,11-12,19H2,1-2H3/t17-/m0/s1