3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanoic acid

Systemtic Name: 3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanoic acid Openeye Name: 3-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]propanoic acid CAS Name: 3-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanoic acid Traditional Name: 3-[4-(4-phenethylpiperazino)benzothiophen-2-yl]propionic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)CCC(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H26N2O2S/c26-23(27)10-9-19-17-20-21(7-4-8-22(20)28-19)25-15-13-24(14-16-25)12-11-18-5-2-1-3-6-18/h1-8,17H,9-16H2,(H,26,27)