5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyquinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyquinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C26H32N4O9 MolecularWeight: 544.55368

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)OC(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O9/c1-4-38-25(37)30-13-11-29(12-14-30)23(34)18(9-10-21(31)32)28-22(33)19-15-20(39-26(2,3)24(35)36)16-7-5-6-8-17(16)27-19/h5-8,15,18H,4,9-14H2,1-3H3,(H,28,33)(H,31,32)(H,35,36)