1-[[4-(5-butoxy-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(5-butoxy-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(5-butoxybenzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(5-butoxy-2-benzofuranyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(5-butoxy-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(5-butoxybenzofuran-2-yl)benzyl]isonipecotic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H29NO4/c1-2-3-14-29-22-8-9-23-21(15-22)16-24(30-23)19-6-4-18(5-7-19)17-26-12-10-20(11-13-26)25(27)28/h4-9,15-16,20H,2-3,10-14,17H2,1H3,(H,27,28)