(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO5/c1-14(2)20(24-19(25)8-15-6-4-3-5-7-15)22(26)28-12-17-10-18(23)9-16-11-27-13-29-21(16)17/h3-7,9-10,14,20H,8,11-13H2,1-2H3,(H,24,25)/t20-/m0/s1