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

Systemtic Name: 1-[(5-methylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-(2-quinolyl)methyl]nipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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