2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]octanoic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]octanoic acid Openeye Name: 2-[(1-carboxy-3-phenyl-propyl)amino]octanoic acid CAS Name: 2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]octanoic acid IUPAC Name: 2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]octanoic acid Traditional Name: 2-[(1-carboxy-3-phenyl-propyl)amino]caprylic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-8-11-15(17(20)21)19-16(18(22)23)13-12-14-9-6-5-7-10-14/h5-7,9-10,15-16,19H,2-4,8,11-13H2,1H3,(H,20,21)(H,22,23)