8-(2,3,4,5,6-pentamethylphenyl)-8-pyridin-3-yl-octanoic acid

Systemtic Name: 8-(2,3,4,5,6-pentamethylphenyl)-8-pyridin-3-yl-octanoic acid Openeye Name: 8-(2,3,4,5,6-pentamethylphenyl)-8-(3-pyridyl)octanoic acid CAS Name: 8-(2,3,4,5,6-pentamethylphenyl)-8-(3-pyridinyl)octanoic acid IUPAC Name: 8-(2,3,4,5,6-pentamethylphenyl)-8-pyridin-3-yloctanoic acid Traditional Name: 8-(2,3,4,5,6-pentamethylphenyl)-8-(3-pyridyl)caprylic acid Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(CCCCCCC(=O)O)C2=CN=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(CCCCCCC(=O)O)C2=CN=CC=C2)C)C

InChI

InChI=1S/C24H33NO2/c1-16-17(2)19(4)24(20(5)18(16)3)22(21-11-10-14-25-15-21)12-8-6-7-9-13-23(26)27/h10-11,14-15,22H,6-9,12-13H2,1-5H3,(H,26,27)