1-[(4-methylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(2-quinolyl)methyl]nipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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