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

Systemtic Name: [2-(4-chlorophenyl)-4-(cyanomethyl)-3-oxidanylidene-cyclopenten-1-yl] octanoate Openeye Name: [2-(4-chlorophenyl)-4-(cyanomethyl)-3-oxo-cyclopenten-1-yl] octanoate CAS Name: octanoic acid [2-(4-chlorophenyl)-4-(cyanomethyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(4-chlorophenyl)-4-(cyanomethyl)-3-oxocyclopenten-1-yl] octanoate Traditional Name: caprylic acid [2-(4-chlorophenyl)-4-(cyanomethyl)-3-keto-cyclopenten-1-yl] ester Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3/c1-2-3-4-5-6-7-19(24)26-18-14-16(12-13-23)21(25)20(18)15-8-10-17(22)11-9-15/h8-11,16H,2-7,12,14H2,1H3