1-[4-(4-heptoxyphenyl)phenyl]ethyl 4-methylhexanoate

Systemtic Name: 1-[4-(4-heptoxyphenyl)phenyl]ethyl 4-methylhexanoate Openeye Name: 1-[4-(4-heptoxyphenyl)phenyl]ethyl 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-[4-(4-heptoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-heptoxyphenyl)phenyl]ethyl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid 1-[4-(4-heptoxyphenyl)phenyl]ethyl ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCC(C)CC

InChI

InChI=1S/C28H40O3/c1-5-7-8-9-10-21-30-27-18-16-26(17-19-27)25-14-12-24(13-15-25)23(4)31-28(29)20-11-22(3)6-2/h12-19,22-23H,5-11,20-21H2,1-4H3