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

Systemtic Name: 4-[3-[(3-cyano-7-methyl-quinolin-2-yl)amino]propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(3-cyano-7-methyl-2-quinolyl)amino]propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-[(3-cyano-7-methyl-2-quinolinyl)amino]propylamino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propylamino]-4-oxobutanoic acid Traditional Name: 4-[3-[(3-cyano-7-methyl-2-quinolyl)amino]propylamino]-4-keto-butyric acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)NCCCNC(=O)CCC(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)NCCCNC(=O)CCC(=O)O)C#N

InChI

InChI=1S/C18H20N4O3/c1-12-3-4-13-10-14(11-19)18(22-15(13)9-12)21-8-2-7-20-16(23)5-6-17(24)25/h3-4,9-10H,2,5-8H2,1H3,(H,20,23)(H,21,22)(H,24,25)