(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(ethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(ethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(ethylamino)-4-oxo-butanoic acid CAS Name: (2R)-4-(3-chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid Traditional Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(ethylamino)-4-keto-butyric acid Formula: C13H17ClN2O3 MolecularWeight: 284.73868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(CC(=O)NC1=CC(=C(C=C1)C)Cl)C(=O)O

Isomeric SMILES

CCN[C@H](CC(=O)NC1=CC(=C(C=C1)C)Cl)C(=O)O

InChI

InChI=1S/C13H17ClN2O3/c1-3-15-11(13(18)19)7-12(17)16-9-5-4-8(2)10(14)6-9/h4-6,11,15H,3,7H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1