[4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-octylbenzoate

Systemtic Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-octylbenzoate Openeye Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-(1-cyano-2-hexylcyclopropyl)phenyl] ester IUPAC Name: [4-(1-cyano-2-hexylcyclopropyl)phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3(CC3CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3(CC3CCCCCC)C#N

InChI

InChI=1S/C31H41NO2/c1-3-5-7-9-10-11-13-25-15-17-26(18-16-25)30(33)34-29-21-19-27(20-22-29)31(24-32)23-28(31)14-12-8-6-4-2/h15-22,28H,3-14,23H2,1-2H3