4-[(3-chlorophenyl)amino]-2-(3-methoxypropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-2-(3-methoxypropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloroanilino)-2-(3-methoxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloroanilino)-4-keto-2-(3-methoxypropylamino)butyric acid Formula: C14H19ClN2O4 MolecularWeight: 314.76466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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