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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5/c1-13(2)18(24-21(26)23-17-6-4-3-5-7-17)20(25)28-11-15-9-16(22)8-14-10-27-12-29-19(14)15/h3-9,13,18H,10-12H2,1-2H3,(H2,23,24,26)/t18-/m1/s1