4-[[cyano-(2,4-dimethylphenyl)methyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[cyano-(2,4-dimethylphenyl)methyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[cyano-(2,4-dimethylphenyl)methyl]-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[cyano-(2,4-dimethylphenyl)methyl]-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[cyano-(2,4-dimethylphenyl)methyl]-methylamino]-4-oxobutanoic acid Traditional Name: 4-[[cyano-(2,4-dimethylphenyl)methyl]-methyl-amino]-4-keto-butyric acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)13(9-16)17(3)14(18)6-7-15(19)20/h4-5,8,13H,6-7H2,1-3H3,(H,19,20)