8-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]octanoic acid

Systemtic Name: 8-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]octanoic acid Openeye Name: 8-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]octanoic acid CAS Name: 8-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]octanoic acid IUPAC Name: 8-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]octanoic acid Traditional Name: 8-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]caprylic acid Formula: C18H26ClNO4 MolecularWeight: 355.85634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCCCCCCC(=O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C(=O)NCCCCCCCC(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H26ClNO4/c1-18(2,24-15-11-9-14(19)10-12-15)17(23)20-13-7-5-3-4-6-8-16(21)22/h9-12H,3-8,13H2,1-2H3,(H,20,23)(H,21,22)