cyclohexanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: cyclohexanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: cyclohexanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: cyclohexanamine; 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: cyclohexanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: cyclohexylamine; 2-(4-methoxyphenyl)cinchoninic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C17H13NO3.C6H13N/c1-21-12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16;7-6-4-2-1-3-5-6/h2-10H,1H3,(H,19,20);6H,1-5,7H2