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

Systemtic Name: 2-[2,6-bis(3-chlorophenyl)-4-(6-phenylhexylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(3-chlorophenyl)-4-(6-phenylhexylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(3-chlorophenyl)-4-[oxo-(6-phenylhexylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(3-chlorophenyl)-4-(6-phenylhexylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(3-chlorophenyl)-4-(6-phenylhexylcarbamoyl)phenoxy]acetic acid Formula: C33H31Cl2NO4 MolecularWeight: 576.50954

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H31Cl2NO4/c34-27-15-8-13-24(18-27)29-20-26(33(39)36-17-7-2-1-4-10-23-11-5-3-6-12-23)21-30(32(29)40-22-31(37)38)25-14-9-16-28(35)19-25/h3,5-6,8-9,11-16,18-21H,1-2,4,7,10,17,22H2,(H,36,39)(H,37,38)