3-cyanopropyl 4-(phenylcarbonyl)benzoate

Systemtic Name: 3-cyanopropyl 4-(phenylcarbonyl)benzoate Openeye Name: 3-cyanopropyl 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid 3-cyanopropyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C18H15NO3/c19-12-4-5-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-2-1-3-7-14/h1-3,6-11H,4-5,13H2