5-benzamido-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-benzamido-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-(5-chloro-2-methyl-phenyl)piperazino]benzoic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H24ClN3O3/c1-17-7-8-19(26)15-23(17)29-13-11-28(12-14-29)22-10-9-20(16-21(22)25(31)32)27-24(30)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,27,30)(H,31,32)