octan-2-yl 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: octan-2-yl 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylate Openeye Name: 1-methylheptyl 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-(4-methoxyphenyl)-1-cyclohexenyl]-1-cyclohex-3-enecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylic acid 1-methylheptyl ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1CCC(=CC1)C2=CCC(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1CCC(=CC1)C2=CCC(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H40O3/c1-4-5-6-7-8-21(2)31-28(29)26-15-13-24(14-16-26)22-9-11-23(12-10-22)25-17-19-27(30-3)20-18-25/h9,13,17-21,23,26H,4-8,10-12,14-16H2,1-3H3