(2R)-2-(cyclohexylazaniumyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclohexylazaniumyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclohexylammonio)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-(cyclohexylammonio)-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclohexylazaniumyl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(cyclohexylammonio)-4-keto-4-(p-tolyl)butyrate Formula: C17H23NO3 MolecularWeight: 289.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]C2CCCCC2

InChI

InChI=1S/C17H23NO3/c1-12-7-9-13(10-8-12)16(19)11-15(17(20)21)18-14-5-3-2-4-6-14/h7-10,14-15,18H,2-6,11H2,1H3,(H,20,21)/t15-/m1/s1