4-(hexylamino)-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-(hexylamino)-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-(hexylamino)-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 4-(hexylamino)-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-(hexylamino)-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: 4-(hexylamino)-4-keto-2-methyl-2-phenyl-butyric acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CC(C)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)CC(C)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-3-4-5-9-12-18-15(19)13-17(2,16(20)21)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,18,19)(H,20,21)