(2R)-4-(4-tert-butylphenyl)-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-2-(cyclohexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-2-(cyclohexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-2-(cyclohexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-2-(cyclohexylammonio)-4-keto-butyrate Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3/c1-20(2,3)15-11-9-14(10-12-15)18(22)13-17(19(23)24)21-16-7-5-4-6-8-16/h9-12,16-17,21H,4-8,13H2,1-3H3,(H,23,24)/t17-/m1/s1