2-[2-(4-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-(4-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-(4-chlorophenyl)-4-[oxo-(8-phenyloctylamino)methyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-(4-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-(4-chlorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-3-phenyl-propionic acid Formula: C36H38ClNO4 MolecularWeight: 584.14422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C36H38ClNO4/c37-31-21-18-29(19-22-31)32-26-30(20-23-33(32)42-34(36(40)41)25-28-16-10-6-11-17-28)35(39)38-24-12-4-2-1-3-7-13-27-14-8-5-9-15-27/h5-6,8-11,14-23,26,34H,1-4,7,12-13,24-25H2,(H,38,39)(H,40,41)