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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-quinolin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(2-quinolyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

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