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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

InChI

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