4-[[2-[4-(4-chlorophenyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[4-(4-chlorophenyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]anilino]-4-keto-butyric acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)CCC(=O)O

InChI

InChI=1S/C21H22ClN3O4/c22-15-5-7-16(8-6-15)24-11-13-25(14-12-24)21(29)17-3-1-2-4-18(17)23-19(26)9-10-20(27)28/h1-8H,9-14H2,(H,23,26)(H,27,28)