(2R)-2-(cyclohexylazaniumyl)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclohexylazaniumyl)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclohexylammonio)-4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(cyclohexylammonio)-4-(2,5-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclohexylazaniumyl)-4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(cyclohexylammonio)-4-(2,5-dimethylanilino)-4-keto-butyrate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-12-8-9-13(2)15(10-12)20-17(21)11-16(18(22)23)19-14-6-4-3-5-7-14/h8-10,14,16,19H,3-7,11H2,1-2H3,(H,20,21)(H,22,23)/t16-/m1/s1