4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[4-(2-naphthyl)-1-piperidyl]propoxy]benzofuran-2-carboxylic acid CAS Name: 4-[2-hydroxy-3-[4-(2-naphthalenyl)-1-piperidinyl]propoxy]-2-benzofurancarboxylic acid IUPAC Name: 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[4-(2-naphthyl)piperidino]propoxy]coumarilic acid Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3C=C2)CC(COC4=CC=CC5=C4C=C(O5)C(=O)O)O

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3C=C2)CC(COC4=CC=CC5=C4C=C(O5)C(=O)O)O

InChI

InChI=1S/C27H27NO5/c29-22(17-32-24-6-3-7-25-23(24)15-26(33-25)27(30)31)16-28-12-10-19(11-13-28)21-9-8-18-4-1-2-5-20(18)14-21/h1-9,14-15,19,22,29H,10-13,16-17H2,(H,30,31)