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

Systemtic Name: 1-[(5-methylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-(2-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(2-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-quinolin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-(2-quinolyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=NC3=CC=CC=C3C=C2)N4CCCCC4C(=O)O

InChI

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