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

Systemtic Name: heptyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylate CAS Name: 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methylcyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylic acid heptyl ester Formula: C31H50O3 MolecularWeight: 470.7269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1(CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OCCCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1(CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OCCCC)C

InChI

InChI=1S/C31H50O3/c1-4-6-8-9-10-24-34-30(32)31(3)21-19-28(20-22-31)26-13-11-25(12-14-26)27-15-17-29(18-16-27)33-23-7-5-2/h15-18,25-26,28H,4-14,19-24H2,1-3H3