2-[6-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[4-(4-phenylpiperazine-1-carbonyl)benzyl]oxycoumaran-3-yl]acetic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)COC4=CC5=C(C=C4)C(CO5)CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)COC4=CC5=C(C=C4)C(CO5)CC(=O)O

InChI

InChI=1S/C28H28N2O5/c31-27(32)16-22-19-35-26-17-24(10-11-25(22)26)34-18-20-6-8-21(9-7-20)28(33)30-14-12-29(13-15-30)23-4-2-1-3-5-23/h1-11,17,22H,12-16,18-19H2,(H,31,32)