[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2COC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4/c26-16-9-17-27(21-11-3-1-4-12-21)24(28)19-31-25(29)23-15-8-7-10-20(23)18-30-22-13-5-2-6-14-22/h1-8,10-15H,9,17-19H2