4-[(5-chloranyl-2-methoxy-phenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-chloro-2-methoxy-anilino)-2-(isobutylamino)-4-oxo-butanoic acid CAS Name: 4-(5-chloro-2-methoxyanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: 4-(5-chloro-2-methoxyanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: 4-(5-chloro-2-methoxy-anilino)-2-(isobutylamino)-4-keto-butyric acid Formula: C15H21ClN2O4 MolecularWeight: 328.79124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)O

Isomeric SMILES

CC(C)CNC(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)O

InChI

InChI=1S/C15H21ClN2O4/c1-9(2)8-17-12(15(20)21)7-14(19)18-11-6-10(16)4-5-13(11)22-3/h4-6,9,12,17H,7-8H2,1-3H3,(H,18,19)(H,20,21)