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

Systemtic Name: 4-[2-[4-(4-phenoxyphenyl)piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(4-phenoxyphenyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(4-phenoxyphenyl)-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(4-phenoxyphenyl)piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(4-phenoxyphenyl)piperazino]ethyl]benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c28-25(29)21-8-6-20(7-9-21)14-15-26-16-18-27(19-17-26)22-10-12-24(13-11-22)30-23-4-2-1-3-5-23/h1-13H,14-19H2,(H,28,29)