(2R)-4-[(3-chlorophenyl)amino]-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloroanilino)-2-(cyclohexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloroanilino)-2-(cyclohexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloroanilino)-2-(cyclohexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloroanilino)-2-(cyclohexylammonio)-4-keto-butyrate Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H21ClN2O3/c17-11-5-4-8-13(9-11)19-15(20)10-14(16(21)22)18-12-6-2-1-3-7-12/h4-5,8-9,12,14,18H,1-3,6-7,10H2,(H,19,20)(H,21,22)/t14-/m1/s1