3-cyanopropyl 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: 3-cyanopropyl 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid 3-cyanopropyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3/c1-14-9-10-15(2)18(13-14)19(22)16-7-3-4-8-17(16)20(23)24-12-6-5-11-21/h3-4,7-10,13H,5-6,12H2,1-2H3