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

Systemtic Name: 2-[2-[4-[1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-[2-(2-thienyl)ethyl]indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(2-thiophen-2-ylethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-[2-(2-thienyl)ethyl]indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CC=CS4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CC=CS4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H30N2O3S/c31-28(32)24-8-2-4-10-27(24)33-18-17-29-14-11-21(12-15-29)25-20-30(16-13-22-6-5-19-34-22)26-9-3-1-7-23(25)26/h1-10,19-21H,11-18H2,(H,31,32)