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

Systemtic Name: 2-[2-[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(4-pyridylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(pyridin-4-ylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(4-pyridylmethyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c32-28(33)24-6-2-4-8-27(24)34-18-17-30-15-11-22(12-16-30)25-20-31(19-21-9-13-29-14-10-21)26-7-3-1-5-23(25)26/h1-10,13-14,20,22H,11-12,15-19H2,(H,32,33)