[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H24N2O5/c1-16(2)14-28-19-10-9-17(13-20(19)27-3)22(26)29-15-21(25)24(12-11-23)18-7-5-4-6-8-18/h4-10,13,16H,12,14-15H2,1-3H3