4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylic acid Openeye Name: 4-[1-[2-(3-thienyl)ethyl]indol-3-yl]piperidine-1-carboxylic acid CAS Name: 4-[1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylic acid Traditional Name: 4-[1-[2-(3-thienyl)ethyl]indol-3-yl]piperidine-1-carboxylic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CSC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CSC=C4)C(=O)O

InChI

InChI=1S/C20H22N2O2S/c23-20(24)21-10-6-16(7-11-21)18-13-22(9-5-15-8-12-25-14-15)19-4-2-1-3-17(18)19/h1-4,8,12-14,16H,5-7,9-11H2,(H,23,24)