1-[2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)phenyl]propan-2-yl pentanoate

Systemtic Name: 1-[2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)phenyl]propan-2-yl pentanoate Openeye Name: [2-[2,3-difluoro-4-(4-heptoxyphenyl)phenyl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[2,3-difluoro-4-(4-heptoxyphenyl)phenyl]propan-2-yl ester IUPAC Name: 1-[2,3-difluoro-4-(4-heptoxyphenyl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[2,3-difluoro-4-(4-heptoxyphenyl)phenyl]-1-methyl-ethyl] ester Formula: C27H36F2O3 MolecularWeight: 446.569746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CC(C)OC(=O)CCCC)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CC(C)OC(=O)CCCC)F)F

InChI

InChI=1S/C27H36F2O3/c1-4-6-8-9-10-18-31-23-15-12-21(13-16-23)24-17-14-22(26(28)27(24)29)19-20(3)32-25(30)11-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3