1-[(5-chloranylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(5-chloro-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(5-chloro-2-thienyl)methyl]isonipecotic acid Formula: C24H24ClNO3S MolecularWeight: 441.97026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C24H24ClNO3S/c25-22-11-10-21(30-22)23(26-14-12-18(13-15-26)24(27)28)19-8-4-5-9-20(19)29-16-17-6-2-1-3-7-17/h1-11,18,23H,12-16H2,(H,27,28)