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

Systemtic Name: 5-acetamido-2-[4-(4-ethanoylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-(4-acetylphenyl)piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-(4-acetylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-(4-acetylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-(4-acetylphenyl)piperazino]benzoic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-14(25)16-3-6-18(7-4-16)23-9-11-24(12-10-23)20-8-5-17(22-15(2)26)13-19(20)21(27)28/h3-8,13H,9-12H2,1-2H3,(H,22,26)(H,27,28)