3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]benzoic acid Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H28N2O2/c29-26(30)23-12-7-13-24(20-23)28-18-16-27(17-19-28)15-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25H,14-19H2,(H,29,30)