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

Systemtic Name: 3-[[4-[1-(pyridin-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-(3-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-(3-pyridinylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(pyridin-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-(3-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=CN=CC=C4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CN=CC=C4)CC5=CC=CC(=C5)C(=O)O

InChI

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