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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-quinolin-4-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(4-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(4-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(4-quinolyl)methyl]proline Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC4C(=O)O

InChI

InChI=1S/C20H20N2O2S/c1-13-11-18(25-12-13)19(22-10-4-7-17(22)20(23)24)15-8-9-21-16-6-3-2-5-14(15)16/h2-3,5-6,8-9,11-12,17,19H,4,7,10H2,1H3,(H,23,24)