2-acetamido-8-[2-(1-acetamidooctyl)phenyl]-6-methyl-octanoic acid

Systemtic Name: 2-acetamido-8-[2-(1-acetamidooctyl)phenyl]-6-methyl-octanoic acid Openeye Name: 2-acetamido-8-[2-(1-acetamidooctyl)phenyl]-6-methyl-octanoic acid CAS Name: 2-acetamido-8-[2-(1-acetamidooctyl)phenyl]-6-methyloctanoic acid IUPAC Name: 2-acetamido-8-[2-(1-acetamidooctyl)phenyl]-6-methyloctanoic acid Traditional Name: 2-acetamido-8-[2-(1-acetamidooctyl)phenyl]-6-methyl-caprylic acid Formula: C27H44N2O4 MolecularWeight: 460.64926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC=C1CCC(C)CCCC(C(=O)O)NC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCC(C1=CC=CC=C1CCC(C)CCCC(C(=O)O)NC(=O)C)NC(=O)C

InChI

InChI=1S/C27H44N2O4/c1-5-6-7-8-9-16-25(28-21(3)30)24-15-11-10-14-23(24)19-18-20(2)13-12-17-26(27(32)33)29-22(4)31/h10-11,14-15,20,25-26H,5-9,12-13,16-19H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)