1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(4-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]pipecolinic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54

InChI

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