methyl 4-[2-[2-(4-cyano-2-ethoxy-phenoxy)ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(4-cyano-2-ethoxy-phenoxy)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(4-cyano-2-ethoxy-phenoxy)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(4-cyano-2-ethoxyphenoxy)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(4-cyano-2-ethoxy-phenoxy)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-3-27-19-12-16(13-22)6-9-18(19)28-14-20(24)23-11-10-15-4-7-17(8-5-15)21(25)26-2/h4-9,12H,3,10-11,14H2,1-2H3,(H,23,24)