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

Systemtic Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-methylpentanoate Openeye Name: [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-methylpentanoate Traditional Name: 4-methylvaleric acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester Formula: C29H42O4 MolecularWeight: 454.64138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)C

InChI

InChI=1S/C29H42O4/c1-5-6-7-8-9-10-21-31-27-16-12-25(13-17-27)26-14-18-28(19-15-26)32-22-24(4)33-29(30)20-11-23(2)3/h12-19,23-24H,5-11,20-22H2,1-4H3