(4-heptanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: (4-heptanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate Openeye Name: (4-heptanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]-1-cyclohexanecarboxylic acid [4-(1-oxoheptoxy)phenyl] ester IUPAC Name: (4-heptanoyloxyphenyl) 4-[4-(2-methylbutyl)cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]cyclohexanecarboxylic acid (4-enanthyloxyphenyl) ester Formula: C31H48O4 MolecularWeight: 484.71042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CC(C)CC

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CC(C)CC

InChI

InChI=1S/C31H48O4/c1-4-6-7-8-9-30(32)34-28-18-20-29(21-19-28)35-31(33)27-16-14-26(15-17-27)25-12-10-24(11-13-25)22-23(3)5-2/h18-21,23-27H,4-17,22H2,1-3H3