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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-2-(3-hydroxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-2-(3-hydroxypropylamino)-4-keto-butyric acid Formula: C14H19ClN2O4 MolecularWeight: 314.76466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCCCO

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCCCO

InChI

InChI=1S/C14H19ClN2O4/c1-9-10(15)4-2-5-11(9)17-13(19)8-12(14(20)21)16-6-3-7-18/h2,4-5,12,16,18H,3,6-8H2,1H3,(H,17,19)(H,20,21)