(4-methylphenyl)methanamine; 3-methyl-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: (4-methylphenyl)methanamine; 3-methyl-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-methyl-2-(2-thienyl)quinoline-4-carboxylic acid; p-tolylmethanamine CAS Name: (4-methylphenyl)methanamine; 3-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: (4-methylphenyl)methanamine; 3-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: (4-methylbenzyl)amine; 3-methyl-2-(2-thienyl)cinchoninic acid Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN.CC1=C(C2=CC=CC=C2N=C1C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN.CC1=C(C2=CC=CC=C2N=C1C3=CC=CS3)C(=O)O

InChI

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