2-methylpentyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate

Systemtic Name: 2-methylpentyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate Openeye Name: 2-methylpentyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate CAS Name: 4-[4-(4-pentoxyphenyl)phenyl]-1-cyclohexenecarboxylic acid 2-methylpentyl ester IUPAC Name: 2-methylpentyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate Traditional Name: 4-[4-(4-amoxyphenyl)phenyl]cyclohexene-1-carboxylic acid 2-methylpentyl ester Formula: C30H40O3 MolecularWeight: 448.6368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(=CC3)C(=O)OCC(C)CCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(=CC3)C(=O)OCC(C)CCC

InChI

InChI=1S/C30H40O3/c1-4-6-7-21-32-29-19-17-27(18-20-29)25-11-9-24(10-12-25)26-13-15-28(16-14-26)30(31)33-22-23(3)8-5-2/h9-12,15,17-20,23,26H,4-8,13-14,16,21-22H2,1-3H3