phenacyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: phenacyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: phenacyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid phenacyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC=CC=C2)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC=CC=C2)OC)OC

InChI

InChI=1S/C21H23NO6/c1-13(2)20(24)22-16-11-19(27-4)18(26-3)10-15(16)21(25)28-12-17(23)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,22,24)