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

Systemtic Name: 1-[[1-(phenylmethyl)imidazol-2-yl]-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylimidazol-2-yl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(phenylmethyl)-2-imidazolyl]-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylimidazol-2-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylimidazol-2-yl)-(2-thienyl)methyl]isonipecotic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CS2)C3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CS2)C3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-21(26)17-8-11-23(12-9-17)19(18-7-4-14-27-18)20-22-10-13-24(20)15-16-5-2-1-3-6-16/h1-7,10,13-14,17,19H,8-9,11-12,15H2,(H,25,26)