(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-phenylmethoxyphenoxy)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-15(23)19(11-22)20(24)13-28-21(25)14-27-18-9-7-17(8-10-18)26-12-16-5-3-2-4-6-16/h2-10,19,23H,12-14H2,1H3