4-[(4-chloranylquinolin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(4-chloranylquinolin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(4-chloroquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[(4-chloro-2-quinolinyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[(4-chloroquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[(4-chloroquinoline-2-carbonyl)amino]-5-keto-valeric acid Formula: C22H25ClN4O6 MolecularWeight: 476.9101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)Cl

InChI

InChI=1S/C22H25ClN4O6/c1-2-33-22(32)27-11-9-26(10-12-27)21(31)17(7-8-19(28)29)25-20(30)18-13-15(23)14-5-3-4-6-16(14)24-18/h3-6,13,17H,2,7-12H2,1H3,(H,25,30)(H,28,29)