1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]nipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C24H22N2O2S/c27-24(28)16-6-5-13-26(14-16)23(20-15-29-22-10-4-2-8-18(20)22)19-11-12-25-21-9-3-1-7-17(19)21/h1-4,7-12,15-16,23H,5-6,13-14H2,(H,27,28)