cyclohexanamine; 3-methyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: cyclohexanamine; 3-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: cyclohexanamine; 3-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: cyclohexanamine; 3-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: cyclohexanamine; 3-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: cyclohexylamine; 3-methyl-2-phenyl-cinchoninic acid Formula: C23H26N2O2 MolecularWeight: 362.46474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C17H13NO2.C6H13N/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;7-6-4-2-1-3-5-6/h2-10H,1H3,(H,19,20);6H,1-5,7H2