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

Systemtic Name: 1-[[4-(5-butyl-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(5-butylbenzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(5-butyl-2-benzofuranyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(5-butyl-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(5-butylbenzofuran-2-yl)benzyl]isonipecotic acid Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H29NO3/c1-2-3-4-18-7-10-23-22(15-18)16-24(29-23)20-8-5-19(6-9-20)17-26-13-11-21(12-14-26)25(27)28/h5-10,15-16,21H,2-4,11-14,17H2,1H3,(H,27,28)