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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

InChI

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