6-azanyl-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-azanyl-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-amino-2-[4-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-amino-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-quinolinecarboxylic acid IUPAC Name: 6-amino-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-amino-2-[4-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]cinchoninic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CCN(CC2)C3=NC4=C(C=C(C=C4)N)C(=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CCN(CC2)C3=NC4=C(C=C(C=C4)N)C(=C3)C(=O)O

InChI

InChI=1S/C22H21N3O2/c1-14-4-2-3-5-17(14)15-8-10-25(11-9-15)21-13-19(22(26)27)18-12-16(23)6-7-20(18)24-21/h2-8,12-13H,9-11,23H2,1H3,(H,26,27)