1-[[1-(phenylmethyl)benzimidazol-2-yl]-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-(phenylmethyl)benzimidazol-2-yl]-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(phenylmethyl)-2-benzimidazolyl]-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-thienyl)methyl]isonipecotic acid Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CS2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CS2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2S/c29-25(30)19-12-14-27(15-13-19)23(22-11-6-16-31-22)24-26-20-9-4-5-10-21(20)28(24)17-18-7-2-1-3-8-18/h1-11,16,19,23H,12-15,17H2,(H,29,30)