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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC(=C2OCCCC(=O)O)C3=CC(=CC=C3)C)C(=O)NCCCCCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC(=C2OCCCC(=O)O)C3=CC(=CC=C3)C)C(=O)NCCCCCCCC4=CC=CC=C4

InChI

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