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

Systemtic Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(3-chlorophenyl)-4-[oxo-(8-phenyloctylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid Formula: C35H35Cl2NO4 MolecularWeight: 604.5627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H35Cl2NO4/c36-29-17-10-15-26(20-29)31-22-28(23-32(34(31)42-24-33(39)40)27-16-11-18-30(37)21-27)35(41)38-19-9-4-2-1-3-6-12-25-13-7-5-8-14-25/h5,7-8,10-11,13-18,20-23H,1-4,6,9,12,19,24H2,(H,38,41)(H,39,40)