1-[4-(4-pentoxyphenyl)phenyl]ethyl 2-heptoxypropanoate

Systemtic Name: 1-[4-(4-pentoxyphenyl)phenyl]ethyl 2-heptoxypropanoate Openeye Name: 1-[4-(4-pentoxyphenyl)phenyl]ethyl 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid 1-[4-(4-pentoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-pentoxyphenyl)phenyl]ethyl 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid 1-[4-(4-amoxyphenyl)phenyl]ethyl ester Formula: C29H42O4 MolecularWeight: 454.64138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C)C(=O)OC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC

Isomeric SMILES

CCCCCCCOC(C)C(=O)OC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC

InChI

InChI=1S/C29H42O4/c1-5-7-9-10-12-21-31-24(4)29(30)33-23(3)25-13-15-26(16-14-25)27-17-19-28(20-18-27)32-22-11-8-6-2/h13-20,23-24H,5-12,21-22H2,1-4H3