2-[(4-tert-butylphenyl)methylamino]-7-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methylamino]-7-methoxy-quinoline-3-carboxylic acid Openeye Name: 2-[(4-tert-butylphenyl)methylamino]-7-methoxy-quinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butylphenyl)methylamino]-7-methoxy-3-quinolinecarboxylic acid IUPAC Name: 2-[(4-tert-butylphenyl)methylamino]-7-methoxyquinoline-3-carboxylic acid Traditional Name: 2-[(4-tert-butylbenzyl)amino]-7-methoxy-quinoline-3-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=C3C=CC(=CC3=N2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=C3C=CC(=CC3=N2)OC)C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-22(2,3)16-8-5-14(6-9-16)13-23-20-18(21(25)26)11-15-7-10-17(27-4)12-19(15)24-20/h5-12H,13H2,1-4H3,(H,23,24)(H,25,26)