(4-cyanophenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid (4-cyanobenzyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)C#N)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)C#N)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-13(2)20(24)23-17-10-19(27-4)18(26-3)9-16(17)21(25)28-12-15-7-5-14(11-22)6-8-15/h5-10,13H,12H2,1-4H3,(H,23,24)