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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]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-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O5/c1-12(21-19(24)22-16-5-3-2-4-6-16)18(23)26-10-14-8-15(20)7-13-9-25-11-27-17(13)14/h2-8,12H,9-11H2,1H3,(H2,21,22,24)/t12-/m0/s1