(2-methoxy-5-methyl-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-15(2)21(23-20(24)13-17-8-6-5-7-9-17)22(25)27-14-18-12-16(3)10-11-19(18)26-4/h5-12,15,21H,13-14H2,1-4H3,(H,23,24)/t21-/m0/s1