2-[2-[4-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-[3-(1-pyrrolyl)propyl]-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C29H33N3O3 MolecularWeight: 471.59062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCCN4C=CC=C4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCCN4C=CC=C4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C29H33N3O3/c33-29(34)25-9-2-4-11-28(25)35-21-20-31-18-12-23(13-19-31)26-22-32(27-10-3-1-8-24(26)27)17-7-16-30-14-5-6-15-30/h1-6,8-11,14-15,22-23H,7,12-13,16-21H2,(H,33,34)