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

Systemtic Name: 2-[[4-[1-(pyridin-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-[1-(3-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-[1-(3-pyridinylmethyl)-3-indolyl]-1-piperidinyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-[1-(pyridin-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-[1-(3-pyridylmethyl)indol-3-yl]piperidino]methyl]nicotinic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CN=CC=C4)CC5=C(C=CC=N5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CN=CC=C4)CC5=C(C=CC=N5)C(=O)O

InChI

InChI=1S/C26H26N4O2/c31-26(32)22-7-4-12-28-24(22)18-29-13-9-20(10-14-29)23-17-30(16-19-5-3-11-27-15-19)25-8-2-1-6-21(23)25/h1-8,11-12,15,17,20H,9-10,13-14,16,18H2,(H,31,32)