4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(4-chloroanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(4-chloroanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H20ClN3O3/c20-15-3-5-16(6-4-15)21-18(24)13-22-9-11-23(12-10-22)17-7-1-14(2-8-17)19(25)26/h1-8H,9-13H2,(H,21,24)(H,25,26)