3-[methanoyl(oxidanyl)amino]-2-[2-(phenylmethyl)butyl]hexanoic acid

Systemtic Name: 3-[methanoyl(oxidanyl)amino]-2-[2-(phenylmethyl)butyl]hexanoic acid Openeye Name: 2-(2-benzylbutyl)-3-[formyl(hydroxy)amino]hexanoic acid CAS Name: 3-[formyl(hydroxy)amino]-2-[2-(phenylmethyl)butyl]hexanoic acid IUPAC Name: 2-(2-benzylbutyl)-3-[formyl(hydroxy)amino]hexanoic acid Traditional Name: 2-(2-benzylbutyl)-3-[formyl(hydroxy)amino]hexanoic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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