4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: 4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(2,4-dichloroanilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(2,4-dichloroanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(2,4-dichloroanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-(2,4-dichloroanilino)-4-keto-2-piperazino-butyric acid Formula: C14H17Cl2N3O3 MolecularWeight: 346.20908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(CC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H17Cl2N3O3/c15-9-1-2-11(10(16)7-9)18-13(20)8-12(14(21)22)19-5-3-17-4-6-19/h1-2,7,12,17H,3-6,8H2,(H,18,20)(H,21,22)