2-[4-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(5-chloro-2-oxo-3-phenyl-benzofuran-3-yl)acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(5-chloro-2-oxo-3-phenyl-3-benzofuranyl)-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(5-chloro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(5-chloro-2-keto-3-phenyl-coumaran-3-yl)acetyl]piperazino]acetic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O5/c23-16-6-7-18-17(12-16)22(21(29)30-18,15-4-2-1-3-5-15)13-19(26)25-10-8-24(9-11-25)14-20(27)28/h1-7,12H,8-11,13-14H2,(H,27,28)