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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H29NO3/c1-17(2)13-19-5-8-23-22(14-19)15-24(29-23)20-6-3-18(4-7-20)16-26-11-9-21(10-12-26)25(27)28/h3-8,14-15,17,21H,9-13,16H2,1-2H3,(H,27,28)