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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

InChI

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