4-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethylamino]-4-keto-butyric acid Formula: C17H18N4O3 MolecularWeight: 326.34982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=O)CCC(=O)O

InChI

InChI=1S/C17H18N4O3/c1-11-3-2-4-12-9-13(10-18)17(21-16(11)12)20-8-7-19-14(22)5-6-15(23)24/h2-4,9H,5-8H2,1H3,(H,19,22)(H,20,21)(H,23,24)