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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO6/c1-13(22-18(23)11-26-17-5-3-2-4-6-17)20(24)27-10-15-8-16(21)7-14-9-25-12-28-19(14)15/h2-8,13H,9-12H2,1H3,(H,22,23)/t13-/m0/s1