5-[(2,5-dimethylphenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2,5-dimethylphenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2,5-dimethylanilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(2,5-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(2,5-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(2,5-dimethylanilino)-5-keto-3,3-dimethyl-valeric acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-10-5-6-11(2)12(7-10)16-13(17)8-15(3,4)9-14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)