[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H24N2O4/c1-3-17-6-8-18(9-7-17)22(26)28-16-21(25)24(15-5-14-23)19-10-12-20(13-11-19)27-4-2/h6-13H,3-5,15-16H2,1-2H3