(4,5-dimethoxy-2-methyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)OC)OC

InChI

InChI=1S/C20H20N2O5/c1-13-10-17(25-2)18(26-3)11-15(13)12-27-20(24)14-4-6-16(7-5-14)22-19(23)8-9-21/h4-7,10-11H,8,12H2,1-3H3,(H,22,23)