1-[(5-ethylthiophen-2-yl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(3-quinolyl)methyl]proline Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-2-16-9-10-19(26-16)20(23-11-5-8-18(23)21(24)25)15-12-14-6-3-4-7-17(14)22-13-15/h3-4,6-7,9-10,12-13,18,20H,2,5,8,11H2,1H3,(H,24,25)