4-[2,6-bis(3-chlorophenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid

Systemtic Name: 4-[2,6-bis(3-chlorophenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid Openeye Name: 4-[2,6-bis(3-chlorophenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid CAS Name: 4-[2,6-bis(3-chlorophenyl)-4-[oxo-(7-phenylheptylamino)methyl]phenoxy]butanoic acid IUPAC Name: 4-[2,6-bis(3-chlorophenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid Traditional Name: 4-[2,6-bis(3-chlorophenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butyric acid Formula: C36H37Cl2NO4 MolecularWeight: 618.58928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)Cl)OCCCC(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)Cl)OCCCC(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C36H37Cl2NO4/c37-30-17-9-15-27(22-30)32-24-29(36(42)39-20-8-3-1-2-5-12-26-13-6-4-7-14-26)25-33(28-16-10-18-31(38)23-28)35(32)43-21-11-19-34(40)41/h4,6-7,9-10,13-18,22-25H,1-3,5,8,11-12,19-21H2,(H,39,42)(H,40,41)