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

Systemtic Name: 2-[2-[4-[1-(3-thiophen-2-ylpropyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-[3-(2-thienyl)propyl]indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(3-thiophen-2-ylpropyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(3-thiophen-2-ylpropyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-[3-(2-thienyl)propyl]indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCCC4=CC=CS4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCCC4=CC=CS4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C29H32N2O3S/c32-29(33)25-10-2-4-12-28(25)34-19-18-30-16-13-22(14-17-30)26-21-31(27-11-3-1-9-24(26)27)15-5-7-23-8-6-20-35-23/h1-4,6,8-12,20-22H,5,7,13-19H2,(H,32,33)