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

Systemtic Name: 1-[(3-methylthiophen-2-yl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O

InChI

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