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

Systemtic Name: 1-[[4-[5-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(5-benzylbenzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[5-(phenylmethyl)-2-benzofuranyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(5-benzyl-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(5-benzylbenzofuran-2-yl)benzyl]isonipecotic acid Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27NO3/c30-28(31)24-12-14-29(15-13-24)19-21-6-9-23(10-7-21)27-18-25-17-22(8-11-26(25)32-27)16-20-4-2-1-3-5-20/h1-11,17-18,24H,12-16,19H2,(H,30,31)