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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-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=C(C=C2)OCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

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

InChI

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