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

Systemtic Name: 5-benzamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-(2,5-dimethylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-(2,5-dimethylphenyl)piperazino]benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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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)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3/c1-18-8-9-19(2)24(16-18)29-14-12-28(13-15-29)23-11-10-21(17-22(23)26(31)32)27-25(30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,27,30)(H,31,32)