2-[(4-chlorophenyl)amino]-4-(2-oxidanylideneethyl)-3-piperazin-1-yl-benzoic acid

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-(2-oxidanylideneethyl)-3-piperazin-1-yl-benzoic acid Openeye Name: 2-(4-chloroanilino)-4-(2-oxoethyl)-3-piperazin-1-yl-benzoic acid CAS Name: 2-(4-chloroanilino)-4-(2-oxoethyl)-3-(1-piperazinyl)benzoic acid IUPAC Name: 2-(4-chloroanilino)-4-(2-oxoethyl)-3-piperazin-1-ylbenzoic acid Traditional Name: 2-(4-chloroanilino)-4-(2-ketoethyl)-3-piperazino-benzoic acid Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CC(=C2NC3=CC=C(C=C3)Cl)C(=O)O)CC=O

Isomeric SMILES

C1CN(CCN1)C2=C(C=CC(=C2NC3=CC=C(C=C3)Cl)C(=O)O)CC=O

InChI

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