1-[4-(4-heptylphenyl)phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl pentanoate Openeye Name: [2-[4-(4-heptylphenyl)phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-(4-heptylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C27H38O3/c1-4-6-8-9-10-11-23-13-15-24(16-14-23)25-17-19-26(20-18-25)29-21-22(3)30-27(28)12-7-5-2/h13-20,22H,4-12,21H2,1-3H3