butyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexane-1-carboxylate

Systemtic Name: butyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexane-1-carboxylate Openeye Name: butyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylate CAS Name: 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methylcyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylic acid butyl ester Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)(C)C(=O)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)(C)C(=O)OCCCC

InChI

InChI=1S/C28H44O3/c1-4-6-20-30-26-14-12-24(13-15-26)22-8-10-23(11-9-22)25-16-18-28(3,19-17-25)27(29)31-21-7-5-2/h12-15,22-23,25H,4-11,16-21H2,1-3H3