[4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptyl-4-isocyano-cyclohexane-1-carboxylate

Systemtic Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptyl-4-isocyano-cyclohexane-1-carboxylate Openeye Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptyl-4-isocyano-cyclohexanecarboxylate CAS Name: 4-heptyl-4-isocyano-1-cyclohexanecarboxylic acid [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptyl-4-isocyanocyclohexane-1-carboxylate Traditional Name: 4-heptyl-4-isocyano-cyclohexanecarboxylic acid [4-[2-(4-amylcyclohexyl)ethyl]phenyl] ester Formula: C34H53NO2 MolecularWeight: 507.79012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC3CCC(CC3)CCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC3CCC(CC3)CCCCC)[N+]#[C-]

InChI

InChI=1S/C34H53NO2/c1-4-6-8-9-11-25-34(35-3)26-23-31(24-27-34)33(36)37-32-21-19-30(20-22-32)18-17-29-15-13-28(14-16-29)12-10-7-5-2/h19-22,28-29,31H,4-18,23-27H2,1-2H3