(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(cyclohexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-2-(cyclohexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-2-(cyclohexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(cyclohexylammonio)-4-keto-butyrate Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O3/c1-11-7-8-13(9-14(11)18)20-16(21)10-15(17(22)23)19-12-5-3-2-4-6-12/h7-9,12,15,19H,2-6,10H2,1H3,(H,20,21)(H,22,23)/t15-/m1/s1