4-[2-[4-(4-phenylpiperidin-1-yl)phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[2-[4-(4-phenylpiperidin-1-yl)phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[2-[4-(4-phenyl-1-piperidyl)phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[2-[4-(4-phenyl-1-piperidinyl)phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[2-[4-(4-phenylpiperidin-1-yl)phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[2-[4-(4-phenylpiperidino)phenyl]piperazino]benzoic acid Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)C4CNCCN4C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)C4CNCCN4C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H31N3O2/c32-28(33)24-8-12-26(13-9-24)31-19-16-29-20-27(31)23-6-10-25(11-7-23)30-17-14-22(15-18-30)21-4-2-1-3-5-21/h1-13,22,27,29H,14-20H2,(H,32,33)