2-(3-methylphenyl)quinoline-4-carboxylic acid; morpholine

Systemtic Name: 2-(3-methylphenyl)quinoline-4-carboxylic acid; morpholine Openeye Name: morpholine; 2-(m-tolyl)quinoline-4-carboxylic acid CAS Name: 2-(3-methylphenyl)-4-quinolinecarboxylic acid; morpholine IUPAC Name: 2-(3-methylphenyl)quinoline-4-carboxylic acid; morpholine Traditional Name: morpholine; 2-(m-tolyl)cinchoninic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1COCCN1

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1COCCN1

InChI

InChI=1S/C17H13NO2.C4H9NO/c1-11-5-4-6-12(9-11)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16;1-3-6-4-2-5-1/h2-10H,1H3,(H,19,20);5H,1-4H2