(4-methylphenyl)methanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: (4-methylphenyl)methanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(5-methyl-2-thienyl)quinoline-4-carboxylic acid; p-tolylmethanamine CAS Name: (4-methylphenyl)methanamine; 2-(5-methyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: (4-methylphenyl)methanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: (4-methylbenzyl)amine; 2-(5-methyl-2-thienyl)cinchoninic acid Formula: C23H22N2O2S MolecularWeight: 390.49798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN.CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN.CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C15H11NO2S.C8H11N/c1-9-6-7-14(19-9)13-8-11(15(17)18)10-4-2-3-5-12(10)16-13;1-7-2-4-8(6-9)5-3-7/h2-8H,1H3,(H,17,18);2-5H,6,9H2,1H3