(2R)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-imidazol-1-yl-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-(1-imidazolyl)-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-imidazol-1-yl-4-keto-4-(p-tolyl)butyrate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])N2C=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])N2C=CN=C2

InChI

InChI=1S/C14H14N2O3/c1-10-2-4-11(5-3-10)13(17)8-12(14(18)19)16-7-6-15-9-16/h2-7,9,12H,8H2,1H3,(H,18,19)/p-1/t12-/m1/s1