4-[2-methyl-6-[3-(3-methylphenyl)-5-(7-phenylheptylcarbamoyl)phenyl]phenoxy]butanoic acid

Systemtic Name: 4-[2-methyl-6-[3-(3-methylphenyl)-5-(7-phenylheptylcarbamoyl)phenyl]phenoxy]butanoic acid Openeye Name: 4-[2-methyl-6-[3-(m-tolyl)-5-(7-phenylheptylcarbamoyl)phenyl]phenoxy]butanoic acid CAS Name: 4-[2-methyl-6-[3-(3-methylphenyl)-5-[oxo-(7-phenylheptylamino)methyl]phenyl]phenoxy]butanoic acid IUPAC Name: 4-[2-methyl-6-[3-(3-methylphenyl)-5-(7-phenylheptylcarbamoyl)phenyl]phenoxy]butanoic acid Traditional Name: 4-[2-methyl-6-[3-(m-tolyl)-5-(7-phenylheptylcarbamoyl)phenyl]phenoxy]butyric acid Formula: C38H43NO4 MolecularWeight: 577.75232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC(=C2)C(=O)NCCCCCCCC3=CC=CC=C3)C4=C(C(=CC=C4)C)OCCCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC(=C2)C(=O)NCCCCCCCC3=CC=CC=C3)C4=C(C(=CC=C4)C)OCCCC(=O)O

InChI

InChI=1S/C38H43NO4/c1-28-14-11-19-31(24-28)32-25-33(35-20-12-15-29(2)37(35)43-23-13-21-36(40)41)27-34(26-32)38(42)39-22-10-5-3-4-7-16-30-17-8-6-9-18-30/h6,8-9,11-12,14-15,17-20,24-27H,3-5,7,10,13,16,21-23H2,1-2H3,(H,39,42)(H,40,41)