2-[[5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoyl]amino]hexanoic acid

Systemtic Name: 2-[[5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoyl]amino]hexanoic acid Openeye Name: 2-[(2-benzyl-5,5-dimethyl-4-oxo-hexanoyl)amino]hexanoic acid CAS Name: 2-[[5,5-dimethyl-1,4-dioxo-2-(phenylmethyl)hexyl]amino]hexanoic acid IUPAC Name: 2-[(2-benzyl-5,5-dimethyl-4-oxohexanoyl)amino]hexanoic acid Traditional Name: 2-[(2-benzyl-4-keto-5,5-dimethyl-hexanoyl)amino]hexanoic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-5-6-12-17(20(25)26)22-19(24)16(14-18(23)21(2,3)4)13-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,24)(H,25,26)