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

Systemtic Name: 1-[[4-(5-cyclohexyl-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(5-cyclohexylbenzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(5-cyclohexyl-2-benzofuranyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(5-cyclohexyl-1-benzofuran-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(5-cyclohexylbenzofuran-2-yl)benzyl]isonipecotic acid Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)O

InChI

InChI=1S/C27H31NO3/c29-27(30)22-12-14-28(15-13-22)18-19-6-8-21(9-7-19)26-17-24-16-23(10-11-25(24)31-26)20-4-2-1-3-5-20/h6-11,16-17,20,22H,1-5,12-15,18H2,(H,29,30)