[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H20N2O4/c1-15-3-2-4-18(13-15)25-12-10-20(24)26-14-19(23)22-17-7-5-16(6-8-17)9-11-21/h2-8,13H,9-10,12,14H2,1H3,(H,22,23)