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

Systemtic Name: 3-[[4-[1-(pyridin-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-(2-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-(2-pyridinylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(pyridin-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-(2-pyridylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CC=N4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CC=N4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H27N3O2/c31-27(32)22-7-5-6-20(16-22)17-29-14-11-21(12-15-29)25-19-30(18-23-8-3-4-13-28-23)26-10-2-1-9-24(25)26/h1-10,13,16,19,21H,11-12,14-15,17-18H2,(H,31,32)