3-(2-oxidanylidene-2-phenylazanyl-ethyl)octanoic acid

Systemtic Name: 3-(2-oxidanylidene-2-phenylazanyl-ethyl)octanoic acid Openeye Name: 3-(2-anilino-2-oxo-ethyl)octanoic acid CAS Name: 3-(2-anilino-2-oxoethyl)octanoic acid IUPAC Name: 3-(2-anilino-2-oxoethyl)octanoic acid Traditional Name: 3-(2-anilino-2-keto-ethyl)caprylic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CCCCCC(CC(=O)NC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C16H23NO3/c1-2-3-5-8-13(12-16(19)20)11-15(18)17-14-9-6-4-7-10-14/h4,6-7,9-10,13H,2-3,5,8,11-12H2,1H3,(H,17,18)(H,19,20)