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

Systemtic Name: (2R)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-2-(2-piperazin-1-ylethylamino)butanoic acid Openeye Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(2-piperazin-1-ylethylamino)butanoic acid CAS Name: (2R)-4-(2-chloroanilino)-4-oxo-2-[2-(1-piperazinyl)ethylamino]butanoic acid IUPAC Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(2-piperazin-1-ylethylamino)butanoic acid Traditional Name: (2R)-4-(2-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=C2Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1)CCN[C@H](CC(=O)NC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C16H23ClN4O3/c17-12-3-1-2-4-13(12)20-15(22)11-14(16(23)24)19-7-10-21-8-5-18-6-9-21/h1-4,14,18-19H,5-11H2,(H,20,22)(H,23,24)/t14-/m1/s1