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

Systemtic Name: 2-[2,6-bis(3-methylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(m-tolyl)-4-(7-phenylheptylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(3-methylphenyl)-4-[oxo-(7-phenylheptylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(3-methylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(m-tolyl)-4-(7-phenylheptylcarbamoyl)phenoxy]acetic acid Formula: C36H39NO4 MolecularWeight: 549.69916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC(=C2OCC(=O)O)C3=CC(=CC=C3)C)C(=O)NCCCCCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC(=C2OCC(=O)O)C3=CC(=CC=C3)C)C(=O)NCCCCCCCC4=CC=CC=C4

InChI

InChI=1S/C36H39NO4/c1-26-13-11-18-29(21-26)32-23-31(24-33(35(32)41-25-34(38)39)30-19-12-14-27(2)22-30)36(40)37-20-10-5-3-4-7-15-28-16-8-6-9-17-28/h6,8-9,11-14,16-19,21-24H,3-5,7,10,15,20,25H2,1-2H3,(H,37,40)(H,38,39)