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

Systemtic Name: 3-[4-(2-phenoxyethanoyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]benzoic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C20H20N2O5/c23-18(14-27-17-7-2-1-3-8-17)21-9-11-22(12-10-21)19(24)15-5-4-6-16(13-15)20(25)26/h1-8,13H,9-12,14H2,(H,25,26)