2-(3,5-dimethylphenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

InChI

InChI=1S/C20H20N2O4/c1-14-11-15(2)13-18(12-14)25-9-10-26-20(24)16-3-5-17(6-4-16)22-19(23)7-8-21/h3-6,11-13H,7,9-10H2,1-2H3,(H,22,23)