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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-quinolin-4-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(4-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(4-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-quinolin-4-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(4-quinolyl)methyl]pipecolinic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-14-12-19(26-13-14)20(23-11-5-4-8-18(23)21(24)25)16-9-10-22-17-7-3-2-6-15(16)17/h2-3,6-7,9-10,12-13,18,20H,4-5,8,11H2,1H3,(H,24,25)