4-[2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid

Systemtic Name: 4-[2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid Openeye Name: 4-[2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid CAS Name: 4-[2,6-bis(3,5-dimethylphenyl)-4-[oxo-(7-phenylheptylamino)methyl]phenoxy]butanoic acid IUPAC Name: 4-[2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butanoic acid Traditional Name: 4-[2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]butyric acid Formula: C40H47NO4 MolecularWeight: 605.80548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H47NO4/c1-28-20-29(2)23-33(22-28)36-26-35(40(44)41-18-12-7-5-6-9-14-32-15-10-8-11-16-32)27-37(34-24-30(3)21-31(4)25-34)39(36)45-19-13-17-38(42)43/h8,10-11,15-16,20-27H,5-7,9,12-14,17-19H2,1-4H3,(H,41,44)(H,42,43)