1-[4-(4-heptylphenyl)phenyl]ethyl 5-methylheptanoate

Systemtic Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 5-methylheptanoate Openeye Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 5-methylheptanoate CAS Name: 5-methylheptanoic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 5-methylheptanoate Traditional Name: 5-methylenanthic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester Formula: C29H42O2 MolecularWeight: 422.64258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O2/c1-5-7-8-9-10-13-25-15-17-27(18-16-25)28-21-19-26(20-22-28)24(4)31-29(30)14-11-12-23(3)6-2/h15-24H,5-14H2,1-4H3