2-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-[(4-dimethylaminophenyl)methyl]-3-oxo-butanoic acid CAS Name: 2-[(4-dimethylaminophenyl)methyl]-3-oxobutanoic acid IUPAC Name: 2-[(4-dimethylaminophenyl)methyl]-3-oxobutanoic acid Traditional Name: 2-[4-(dimethylamino)benzyl]-3-keto-butyric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-9(15)12(13(16)17)8-10-4-6-11(7-5-10)14(2)3/h4-7,12H,8H2,1-3H3,(H,16,17)