[4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-pentoxy-benzoate

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-pentoxy-benzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-pentoxy-benzoate CAS Name: 3-cyano-4-pentoxybenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-pentoxybenzoate Traditional Name: 4-amoxy-3-cyano-benzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C30H45NO3 MolecularWeight: 467.6832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCCC)C#N

InChI

InChI=1S/C30H45NO3/c1-3-5-7-9-23-10-12-24(13-11-23)25-14-17-28(18-15-25)34-30(32)26-16-19-29(27(21-26)22-31)33-20-8-6-4-2/h16,19,21,23-25,28H,3-15,17-18,20H2,1-2H3