[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenoxy)ethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-23(13-5-12-22)20(24)15-28-21(25)16-27-19-10-8-18(9-11-19)26-14-17-6-3-2-4-7-17/h2-4,6-11H,5,13-16H2,1H3