2-(butylamino)-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(butylamino)-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(butylamino)-4-(5-chloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: 2-(butylamino)-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid IUPAC Name: 2-(butylamino)-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid Traditional Name: 2-(butylamino)-4-(5-chloro-2-methyl-anilino)-4-keto-butyric acid Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O3/c1-3-4-7-17-13(15(20)21)9-14(19)18-12-8-11(16)6-5-10(12)2/h5-6,8,13,17H,3-4,7,9H2,1-2H3,(H,18,19)(H,20,21)