2-[4-(4-dibenzothiophen-3-ylphenyl)piperazin-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-(4-dibenzothiophen-3-ylphenyl)piperazin-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4-(4-dibenzothiophen-3-ylphenyl)piperazin-1-yl]-2-phenyl-acetic acid CAS Name: 2-[4-[4-(3-dibenzothiophenyl)phenyl]-1-piperazinyl]-2-phenylacetic acid IUPAC Name: 2-[4-(4-dibenzothiophen-3-ylphenyl)piperazin-1-yl]-2-phenylacetic acid Traditional Name: 2-[4-(4-dibenzothiophen-3-ylphenyl)piperazino]-2-phenyl-acetic acid Formula: C30H26N2O2S MolecularWeight: 478.60464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5S4)C(C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5S4)C(C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C30H26N2O2S/c33-30(34)29(22-6-2-1-3-7-22)32-18-16-31(17-19-32)24-13-10-21(11-14-24)23-12-15-26-25-8-4-5-9-27(25)35-28(26)20-23/h1-15,20,29H,16-19H2,(H,33,34)