[4-(cyanomethyl)-2-(2-methylphenyl)-3-oxidanylidene-cyclopenten-1-yl] octanoate

Systemtic Name: [4-(cyanomethyl)-2-(2-methylphenyl)-3-oxidanylidene-cyclopenten-1-yl] octanoate Openeye Name: [4-(cyanomethyl)-2-(o-tolyl)-3-oxo-cyclopenten-1-yl] octanoate CAS Name: octanoic acid [4-(cyanomethyl)-2-(2-methylphenyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [4-(cyanomethyl)-2-(2-methylphenyl)-3-oxocyclopenten-1-yl] octanoate Traditional Name: caprylic acid [4-(cyanomethyl)-3-keto-2-(o-tolyl)cyclopenten-1-yl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)C(C1)CC#N)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)C(C1)CC#N)C2=CC=CC=C2C

InChI

InChI=1S/C22H27NO3/c1-3-4-5-6-7-12-20(24)26-19-15-17(13-14-23)22(25)21(19)18-11-9-8-10-16(18)2/h8-11,17H,3-7,12-13,15H2,1-2H3