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

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

Isomeric SMILES

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

InChI

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