4,4-bis(azanyl)-2-methyl-4-[3-methyl-2-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]butanoic acid

Systemtic Name: 4,4-bis(azanyl)-2-methyl-4-[3-methyl-2-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]butanoic acid Openeye Name: 4,4-diamino-4-[2-(3-hydroxy-2-methyl-3-oxo-propyl)-3-methyl-phenyl]-2-methyl-butanoic acid CAS Name: 4,4-diamino-4-[2-(3-hydroxy-2-methyl-3-oxopropyl)-3-methylphenyl]-2-methylbutanoic acid IUPAC Name: 4,4-diamino-4-[2-(3-hydroxy-2-methyl-3-oxopropyl)-3-methylphenyl]-2-methylbutanoic acid Traditional Name: 4,4-diamino-4-[2-(3-hydroxy-3-keto-2-methyl-propyl)-3-methyl-phenyl]-2-methyl-butyric acid Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-9-5-4-6-13(12(9)7-10(2)14(19)20)16(17,18)8-11(3)15(21)22/h4-6,10-11H,7-8,17-18H2,1-3H3,(H,19,20)(H,21,22)