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

Systemtic Name: 3-[[4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-[2-(2-pyridyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-[2-(2-pyridinyl)ethyl]-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-[2-(2-pyridyl)ethyl]indol-3-yl]piperidino]methyl]benzoic acid Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CC=CC=N4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CC=CC=N4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H29N3O2/c32-28(33)23-7-5-6-21(18-23)19-30-15-11-22(12-16-30)26-20-31(27-10-2-1-9-25(26)27)17-13-24-8-3-4-14-29-24/h1-10,14,18,20,22H,11-13,15-17,19H2,(H,32,33)