8-[4-(2-acetamidoethyl)phenyl]octanoic acid

Systemtic Name: 8-[4-(2-acetamidoethyl)phenyl]octanoic acid Openeye Name: 8-[4-(2-acetamidoethyl)phenyl]octanoic acid CAS Name: 8-[4-(2-acetamidoethyl)phenyl]octanoic acid IUPAC Name: 8-[4-(2-acetamidoethyl)phenyl]octanoic acid Traditional Name: 8-[4-(2-acetamidoethyl)phenyl]caprylic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)CCCCCCCC(=O)O

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)CCCCCCCC(=O)O

InChI

InChI=1S/C18H27NO3/c1-15(20)19-14-13-17-11-9-16(10-12-17)7-5-3-2-4-6-8-18(21)22/h9-12H,2-8,13-14H2,1H3,(H,19,20)(H,21,22)