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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-[4-(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)NC2=CC=C(C=C2)CC#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC

InChI

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