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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c21-13-12-16-8-10-17(11-9-16)22-19(23)15-26-20(24)7-4-14-25-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12,14-15H2,(H,22,23)