4-[4-(4-decoxyphenyl)phenyl]butan-2-yl propanoate

Systemtic Name: 4-[4-(4-decoxyphenyl)phenyl]butan-2-yl propanoate Openeye Name: [3-[4-(4-decoxyphenyl)phenyl]-1-methyl-propyl] propanoate CAS Name: propanoic acid 4-[4-(4-decoxyphenyl)phenyl]butan-2-yl ester IUPAC Name: 4-[4-(4-decoxyphenyl)phenyl]butan-2-yl propanoate Traditional Name: propionic acid [3-[4-(4-decoxyphenyl)phenyl]-1-methyl-propyl] ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

InChI

InChI=1S/C29H42O3/c1-4-6-7-8-9-10-11-12-23-31-28-21-19-27(20-22-28)26-17-15-25(16-18-26)14-13-24(3)32-29(30)5-2/h15-22,24H,4-14,23H2,1-3H3