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

Systemtic Name: propyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexane-1-carboxylate Openeye Name: propyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylate CAS Name: 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-1-cyclohexanecarboxylic acid propyl ester IUPAC Name: propyl 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methylcyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butoxyphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylic acid propyl ester Formula: C27H42O3 MolecularWeight: 414.62058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O3/c1-4-6-20-29-25-13-11-23(12-14-25)21-7-9-22(10-8-21)24-15-17-27(3,18-16-24)26(28)30-19-5-2/h11-14,21-22,24H,4-10,15-20H2,1-3H3