2-[2-[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(3-furylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(3-furanylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(3-furfuryl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=COC=C4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=COC=C4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H28N2O4/c30-27(31)23-6-2-4-8-26(23)33-16-14-28-12-9-21(10-13-28)24-18-29(17-20-11-15-32-19-20)25-7-3-1-5-22(24)25/h1-8,11,15,18-19,21H,9-10,12-14,16-17H2,(H,30,31)