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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(3-methoxypropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-2-(3-methoxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-4-keto-2-(3-methoxypropylamino)butyric acid Formula: C15H21ClN2O4 MolecularWeight: 328.79124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O4/c1-10-11(16)5-3-6-12(10)18-14(19)9-13(15(20)21)17-7-4-8-22-2/h3,5-6,13,17H,4,7-9H2,1-2H3,(H,18,19)(H,20,21)