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

Systemtic Name: 2-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-[1-(2-thienylmethyl)indol-3-yl]-1-piperidyl]methyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-[1-(thiophen-2-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-[1-(2-thenyl)indol-3-yl]piperidino]methyl]nicotinic acid Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CS4)CC5=C(C=CC=N5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CS4)CC5=C(C=CC=N5)C(=O)O

InChI

InChI=1S/C25H25N3O2S/c29-25(30)21-7-3-11-26-23(21)17-27-12-9-18(10-13-27)22-16-28(15-19-5-4-14-31-19)24-8-2-1-6-20(22)24/h1-8,11,14,16,18H,9-10,12-13,15,17H2,(H,29,30)