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

Systemtic Name: 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Openeye Name: 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; p-tolylmethanamine CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid; (4-methylphenyl)methanamine IUPAC Name: 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid; (4-methylphenyl)methanamine Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid; (4-methylbenzyl)amine Formula: C25H23ClN2O2 MolecularWeight: 418.91532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN.CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN.CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C17H12ClNO2.C8H11N/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11;1-7-2-4-8(6-9)5-3-7/h2-9H,1H3,(H,20,21);2-5H,6,9H2,1H3