4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(2-piperazin-1-ylethylamino)butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(2-piperazin-1-ylethylamino)butanoic acid Openeye Name: 4-(3-chloroanilino)-4-oxo-2-(2-piperazin-1-ylethylamino)butanoic acid CAS Name: 4-(3-chloroanilino)-4-oxo-2-[2-(1-piperazinyl)ethylamino]butanoic acid IUPAC Name: 4-(3-chloroanilino)-4-oxo-2-(2-piperazin-1-ylethylamino)butanoic acid Traditional Name: 4-(3-chloroanilino)-4-keto-2-(2-piperazinoethylamino)butyric acid Formula: C16H23ClN4O3 MolecularWeight: 354.83182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O3/c17-12-2-1-3-13(10-12)20-15(22)11-14(16(23)24)19-6-9-21-7-4-18-5-8-21/h1-3,10,14,18-19H,4-9,11H2,(H,20,22)(H,23,24)