methyl 5-[4-[7-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]heptyl]phenyl]pentanoate

Systemtic Name: methyl 5-[4-[7-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]heptyl]phenyl]pentanoate Openeye Name: methyl 5-[4-[7-[4-(2-methoxy-2-oxo-ethyl)phenyl]heptyl]phenyl]pentanoate CAS Name: 5-[4-[7-[4-(2-methoxy-2-oxoethyl)phenyl]heptyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-[7-[4-(2-methoxy-2-oxoethyl)phenyl]heptyl]phenyl]pentanoate Traditional Name: 5-[4-[7-[4-(2-keto-2-methoxy-ethyl)phenyl]heptyl]phenyl]valeric acid methyl ester Formula: C28H38O4 MolecularWeight: 438.59892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CC=C(C=C1)CCCCCCCC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

COC(=O)CCCCC1=CC=C(C=C1)CCCCCCCC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C28H38O4/c1-31-27(29)13-9-8-12-25-16-14-23(15-17-25)10-6-4-3-5-7-11-24-18-20-26(21-19-24)22-28(30)32-2/h14-21H,3-13,22H2,1-2H3