methyl 3-[4-(4-pentylphenyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(4-pentylphenyl)phenyl]propanoate Openeye Name: methyl 3-[4-(4-pentylphenyl)phenyl]propanoate CAS Name: 3-[4-(4-pentylphenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-pentylphenyl)phenyl]propanoate Traditional Name: 3-[4-(4-amylphenyl)phenyl]propionic acid methyl ester Formula: C21H26O2 MolecularWeight: 310.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O2/c1-3-4-5-6-17-7-12-19(13-8-17)20-14-9-18(10-15-20)11-16-21(22)23-2/h7-10,12-15H,3-6,11,16H2,1-2H3