[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

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