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

Systemtic Name: 2-[2-[4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-[2-(3-thienyl)ethyl]indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-[2-(3-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=CSC=C4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CSC=C4)CCOC5=CC=CC=C5C(=O)O

InChI

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