(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(phenoxymethyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(phenoxymethyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C20H18N2O4/c1-14(22)18(11-21)19(23)13-26-20(24)16-9-7-15(8-10-16)12-25-17-5-3-2-4-6-17/h2-10,18,22H,12-13H2,1H3