2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanoic acid

Systemtic Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanoic acid Openeye Name: 2-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]propanoic acid CAS Name: 2-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanoic acid Traditional Name: 2-[4-(4-phenethylpiperazino)benzothiophen-2-yl]propionic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H26N2O2S/c1-17(23(26)27)22-16-19-20(8-5-9-21(19)28-22)25-14-12-24(13-15-25)11-10-18-6-3-2-4-7-18/h2-9,16-17H,10-15H2,1H3,(H,26,27)