4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(2-thienyl)acetyl]piperazino]benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)CC3=CC=CS3

InChI

InChI=1S/C17H18N2O3S/c20-16(12-15-2-1-11-23-15)19-9-7-18(8-10-19)14-5-3-13(4-6-14)17(21)22/h1-6,11H,7-10,12H2,(H,21,22)