4-[[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(3-chlorophenyl)piperazin-1-yl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[4-(3-chlorophenyl)-1-piperazinyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(3-chlorophenyl)piperazin-1-yl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(3-chlorophenyl)piperazino]anilino]-4-keto-butyric acid Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c21-15-2-1-3-18(14-15)24-12-10-23(11-13-24)17-6-4-16(5-7-17)22-19(25)8-9-20(26)27/h1-7,14H,8-13H2,(H,22,25)(H,26,27)