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

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenoxyethoxy)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-(2-phenoxyethoxy)benzoate CAS Name: 2-(2-phenoxyethoxy)benzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate Traditional Name: 2-(2-phenoxyethoxy)benzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C28H28N2O6/c1-2-33-24-15-13-22(14-16-24)30(18-8-17-29)27(31)21-36-28(32)25-11-6-7-12-26(25)35-20-19-34-23-9-4-3-5-10-23/h3-7,9-16H,2,8,18-21H2,1H3