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

Systemtic Name: 5-acetamido-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-(5-chloro-2-methyl-phenyl)piperazino]benzoic acid Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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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)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-13-3-4-15(21)11-19(13)24-9-7-23(8-10-24)18-6-5-16(22-14(2)25)12-17(18)20(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,26,27)