methyl 3-(1-cyanocyclobutyl)-5-methyl-benzoate

Systemtic Name: methyl 3-(1-cyanocyclobutyl)-5-methyl-benzoate Openeye Name: methyl 3-(1-cyanocyclobutyl)-5-methyl-benzoate CAS Name: 3-(1-cyanocyclobutyl)-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(1-cyanocyclobutyl)-5-methylbenzoate Traditional Name: 3-(1-cyanocyclobutyl)-5-methyl-benzoic acid methyl ester Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2(CCC2)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C2(CCC2)C#N)C(=O)OC

InChI

InChI=1S/C14H15NO2/c1-10-6-11(13(16)17-2)8-12(7-10)14(9-15)4-3-5-14/h6-8H,3-5H2,1-2H3