2-[2,6-bis(3-chlorophenyl)-4-(4-phenylbutylcarbamoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-bis(3-chlorophenyl)-4-(4-phenylbutylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(3-chlorophenyl)-4-(4-phenylbutylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(3-chlorophenyl)-4-[oxo-(4-phenylbutylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(3-chlorophenyl)-4-(4-phenylbutylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(3-chlorophenyl)-4-(4-phenylbutylcarbamoyl)phenoxy]acetic acid Formula: C31H27Cl2NO4 MolecularWeight: 548.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)Cl)OCC(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)Cl)OCC(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C31H27Cl2NO4/c32-25-13-6-11-22(16-25)27-18-24(31(37)34-15-5-4-10-21-8-2-1-3-9-21)19-28(30(27)38-20-29(35)36)23-12-7-14-26(33)17-23/h1-3,6-9,11-14,16-19H,4-5,10,15,20H2,(H,34,37)(H,35,36)