2-[2-[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(2-thienylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(thiophen-2-ylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(2-thenyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CS4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CS4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H28N2O3S/c30-27(31)23-8-2-4-10-26(23)32-16-15-28-13-11-20(12-14-28)24-19-29(18-21-6-5-17-33-21)25-9-3-1-7-22(24)25/h1-10,17,19-20H,11-16,18H2,(H,30,31)