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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(phenylmethyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C20H18N2O3/c1-14(22)18(12-21)19(23)13-25-20(24)17-10-6-5-9-16(17)11-15-7-3-2-4-8-15/h2-10,18,22H,11,13H2,1H3