4-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]propylamino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propylamino]-4-oxobutanoic acid Traditional Name: 4-[3-[(3-cyano-5,7-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=CC(=C2C=C(C(=NC2=C1)NCCCNC(=O)CCC(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCCNC(=O)CCC(=O)O)C#N)C

InChI

InChI=1S/C19H22N4O3/c1-12-8-13(2)15-10-14(11-20)19(23-16(15)9-12)22-7-3-6-21-17(24)4-5-18(25)26/h8-10H,3-7H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)