[2,3-bis(fluoranyl)-4-(4-hexoxyphenyl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [2,3-bis(fluoranyl)-4-(4-hexoxyphenyl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [2,3-difluoro-4-(4-hexoxyphenyl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [2,3-difluoro-4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(4-hexoxyphenyl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [2,3-difluoro-4-(4-hexoxyphenyl)phenyl] ester Formula: C24H29ClF2O3 MolecularWeight: 438.935066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C(C(C)CC)Cl)F)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C(C(C)CC)Cl)F)F

InChI

InChI=1S/C24H29ClF2O3/c1-4-6-7-8-15-29-18-11-9-17(10-12-18)19-13-14-20(23(27)22(19)26)30-24(28)21(25)16(3)5-2/h9-14,16,21H,4-8,15H2,1-3H3