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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CS4)C(=O)O

InChI

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