3-cyanopropyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: 3-cyanopropyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: 3-cyanopropyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid 3-cyanopropyl ester Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC#N

InChI

InChI=1S/C19H17NO3/c1-14-8-10-15(11-9-14)18(21)16-6-2-3-7-17(16)19(22)23-13-5-4-12-20/h2-3,6-11H,4-5,13H2,1H3