(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-acetamido-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-acetamido-3-phenyl-propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5/c1-13(23)22-18(14-5-3-2-4-6-14)9-19(24)26-11-16-8-17(21)7-15-10-25-12-27-20(15)16/h2-8,18H,9-12H2,1H3,(H,22,23)