4-[2-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethylamino]-4-keto-butyric acid Formula: C18H20N4O4 MolecularWeight: 356.3758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)CCC(=O)O

InChI

InChI=1S/C18H20N4O4/c1-2-26-14-3-4-15-12(10-14)9-13(11-19)18(22-15)21-8-7-20-16(23)5-6-17(24)25/h3-4,9-10H,2,5-8H2,1H3,(H,20,23)(H,21,22)(H,24,25)