4-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(4-benzyloxyphenyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(4-benzoxyphenyl)piperazino]ethyl]benzoic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c29-26(30)23-8-6-21(7-9-23)14-15-27-16-18-28(19-17-27)24-10-12-25(13-11-24)31-20-22-4-2-1-3-5-22/h1-13H,14-20H2,(H,29,30)