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

Systemtic Name: 5-acetamido-2-[4-(diphenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-(4-benzhydrylpiperazin-1-yl)benzoic acid CAS Name: 5-acetamido-2-[4-(diphenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-(4-benzhydrylpiperazin-1-yl)benzoic acid Traditional Name: 5-acetamido-2-(4-benzhydrylpiperazino)benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H27N3O3/c1-19(30)27-22-12-13-24(23(18-22)26(31)32)28-14-16-29(17-15-28)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3,(H,27,30)(H,31,32)