3-[4-(2-phenoxyethanoyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(2-phenoxyethanoyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(2-phenoxyacetyl)piperazino]benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4/c22-18(14-25-17-7-2-1-3-8-17)21-11-9-20(10-12-21)16-6-4-5-15(13-16)19(23)24/h1-8,13H,9-12,14H2,(H,23,24)