2-[2-[4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-[2-(2-pyridyl)ethyl]indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-[2-(2-pyridinyl)ethyl]-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-[2-(2-pyridyl)ethyl]indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CC=CC=N4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CC=CC=N4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C29H31N3O3/c33-29(34)25-9-2-4-11-28(25)35-20-19-31-16-12-22(13-17-31)26-21-32(27-10-3-1-8-24(26)27)18-14-23-7-5-6-15-30-23/h1-11,15,21-22H,12-14,16-20H2,(H,33,34)