4-[4-(4-pentylcyclohexyl)phenoxy]butan-2-yl pentanoate

Systemtic Name: 4-[4-(4-pentylcyclohexyl)phenoxy]butan-2-yl pentanoate Openeye Name: [1-methyl-3-[4-(4-pentylcyclohexyl)phenoxy]propyl] pentanoate CAS Name: pentanoic acid 4-[4-(4-pentylcyclohexyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenoxy]butan-2-yl pentanoate Traditional Name: valeric acid [3-[4-(4-amylcyclohexyl)phenoxy]-1-methyl-propyl] ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCC

InChI

InChI=1S/C26H42O3/c1-4-6-8-9-22-11-13-23(14-12-22)24-15-17-25(18-16-24)28-20-19-21(3)29-26(27)10-7-5-2/h15-18,21-23H,4-14,19-20H2,1-3H3