2-azanyl-4-oxidanylidene-2-(phenylmethyl)octanoic acid

Systemtic Name: 2-azanyl-4-oxidanylidene-2-(phenylmethyl)octanoic acid Openeye Name: 2-amino-2-benzyl-4-oxo-octanoic acid CAS Name: 2-amino-4-oxo-2-(phenylmethyl)octanoic acid IUPAC Name: 2-amino-2-benzyl-4-oxooctanoic acid Traditional Name: 2-amino-2-benzyl-4-keto-caprylic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(CC1=CC=CC=C1)(C(=O)O)N

Isomeric SMILES

CCCCC(=O)CC(CC1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C15H21NO3/c1-2-3-9-13(17)11-15(16,14(18)19)10-12-7-5-4-6-8-12/h4-8H,2-3,9-11,16H2,1H3,(H,18,19)