2-[2-(3-chloranyl-4-fluoranyl-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(3-chloranyl-4-fluoranyl-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2-(3-chloro-4-fluoro-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2-(3-chloro-4-fluorophenyl)-4-[oxo-(8-phenyloctylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-(3-chloro-4-fluorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2-(3-chloro-4-fluoro-phenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid Formula: C29H31ClFNO4 MolecularWeight: 512.012143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C=C2)OCC(=O)O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C=C2)OCC(=O)O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C29H31ClFNO4/c30-25-19-22(13-15-26(25)31)24-18-23(14-16-27(24)36-20-28(33)34)29(35)32-17-9-4-2-1-3-6-10-21-11-7-5-8-12-21/h5,7-8,11-16,18-19H,1-4,6,9-10,17,20H2,(H,32,35)(H,33,34)