ethyl 2-[4-[1-acetamido-3,5-bis(fluoranyl)-1-phenyl-octyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[1-acetamido-3,5-bis(fluoranyl)-1-phenyl-octyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-(1-acetamido-3,5-difluoro-1-phenyl-octyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-(1-acetamido-3,5-difluoro-1-phenyloctyl)phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-acetamido-3,5-difluoro-1-phenyloctyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(1-acetamido-3,5-difluoro-1-phenyl-octyl)phenoxy]-2-methyl-propionic acid ethyl ester Formula: C28H37F2NO4 MolecularWeight: 489.594486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC(C)(C)C(=O)OCC)NC(=O)C)F)F

Isomeric SMILES

CCCC(CC(CC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC(C)(C)C(=O)OCC)NC(=O)C)F)F

InChI

InChI=1S/C28H37F2NO4/c1-6-11-23(29)18-24(30)19-28(31-20(3)32,21-12-9-8-10-13-21)22-14-16-25(17-15-22)35-27(4,5)26(33)34-7-2/h8-10,12-17,23-24H,6-7,11,18-19H2,1-5H3,(H,31,32)