4-[(3-butylquinolin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(3-butylquinolin-4-yl)amino]benzoic acid Openeye Name: 4-[(3-butyl-4-quinolyl)amino]benzoic acid CAS Name: 4-[(3-butyl-4-quinolinyl)amino]benzoic acid IUPAC Name: 4-[(3-butylquinolin-4-yl)amino]benzoic acid Traditional Name: 4-[(3-butyl-4-quinolyl)amino]benzoic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O2/c1-2-3-6-15-13-21-18-8-5-4-7-17(18)19(15)22-16-11-9-14(10-12-16)20(23)24/h4-5,7-13H,2-3,6H2,1H3,(H,21,22)(H,23,24)