1-[(3-phenylmethoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C24H25NO3S MolecularWeight: 407.5252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H25NO3S/c26-24(27)19-11-13-25(14-12-19)23(22-10-5-15-29-22)20-8-4-9-21(16-20)28-17-18-6-2-1-3-7-18/h1-10,15-16,19,23H,11-14,17H2,(H,26,27)