5-acetamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-(2,5-dimethylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-(2,5-dimethylphenyl)piperazino]benzoic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-14-4-5-15(2)20(12-14)24-10-8-23(9-11-24)19-7-6-17(22-16(3)25)13-18(19)21(26)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,26,27)