4-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propylamino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propylamino]-4-oxobutanoic acid Traditional Name: 4-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propylamino]-4-keto-butyric acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNC(=O)CCC(=O)O)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNC(=O)CCC(=O)O)C#N)C

InChI

InChI=1S/C19H22N4O3/c1-12-4-5-14-10-15(11-20)19(23-18(14)13(12)2)22-9-3-8-21-16(24)6-7-17(25)26/h4-5,10H,3,6-9H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)