2-[2,6-bis(4-fluoranyl-3-methyl-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-bis(4-fluoranyl-3-methyl-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(4-fluoro-3-methyl-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(4-fluoro-3-methylphenyl)-4-[oxo-(8-phenyloctylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(4-fluoro-3-methylphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(4-fluoro-3-methyl-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid Formula: C37H39F2NO4 MolecularWeight: 599.706666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=CC(=C2OCC(=O)O)C3=CC(=C(C=C3)F)C)C(=O)NCCCCCCCCC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=CC(=C2OCC(=O)O)C3=CC(=C(C=C3)F)C)C(=O)NCCCCCCCCC4=CC=CC=C4)F

InChI

InChI=1S/C37H39F2NO4/c1-25-20-28(15-17-33(25)38)31-22-30(23-32(36(31)44-24-35(41)42)29-16-18-34(39)26(2)21-29)37(43)40-19-11-6-4-3-5-8-12-27-13-9-7-10-14-27/h7,9-10,13-18,20-23H,3-6,8,11-12,19,24H2,1-2H3,(H,40,43)(H,41,42)