(4-chlorophenyl)methanamine; 2-(furan-2-yl)quinoline-4-carboxylic acid

Systemtic Name: (4-chlorophenyl)methanamine; 2-(furan-2-yl)quinoline-4-carboxylic acid Openeye Name: (4-chlorophenyl)methanamine; 2-(2-furyl)quinoline-4-carboxylic acid CAS Name: (4-chlorophenyl)methanamine; 2-(2-furanyl)-4-quinolinecarboxylic acid IUPAC Name: (4-chlorophenyl)methanamine; 2-(furan-2-yl)quinoline-4-carboxylic acid Traditional Name: (4-chlorobenzyl)amine; 2-(2-furyl)cinchoninic acid Formula: C21H17ClN2O3 MolecularWeight: 380.82428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)O.C1=CC(=CC=C1CN)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)O.C1=CC(=CC=C1CN)Cl

InChI

InChI=1S/C14H9NO3.C7H8ClN/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;8-7-3-1-6(5-9)2-4-7/h1-8H,(H,16,17);1-4H,5,9H2