1-[4-(4-pentylphenyl)phenoxy]propan-2-yl 3-methylpentanoate

Systemtic Name: 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl 3-methylpentanoate Openeye Name: [1-methyl-2-[4-(4-pentylphenyl)phenoxy]ethyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-[4-(4-amylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CC(C)CC

InChI

InChI=1S/C26H36O3/c1-5-7-8-9-22-10-12-23(13-11-22)24-14-16-25(17-15-24)28-19-21(4)29-26(27)18-20(3)6-2/h10-17,20-21H,5-9,18-19H2,1-4H3