1-[(5-ethylthiophen-2-yl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(3-quinolyl)methyl]nipecotic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C22H24N2O2S/c1-2-18-9-10-20(27-18)21(24-11-5-7-16(14-24)22(25)26)17-12-15-6-3-4-8-19(15)23-13-17/h3-4,6,8-10,12-13,16,21H,2,5,7,11,14H2,1H3,(H,25,26)