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

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxyquinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-methoxy-1,1-dimethyl-2-oxo-ethoxy)quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxy-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-5-keto-4-[[4-(2-keto-2-methoxy-1,1-dimethyl-ethoxy)quinoline-2-carbonyl]amino]valeric acid Formula: C27H34N4O9 MolecularWeight: 558.58026

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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)OC

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)OC

InChI

InChI=1S/C27H34N4O9/c1-5-39-26(37)31-14-12-30(13-15-31)24(35)19(10-11-22(32)33)29-23(34)20-16-21(40-27(2,3)25(36)38-4)17-8-6-7-9-18(17)28-20/h6-9,16,19H,5,10-15H2,1-4H3,(H,29,34)(H,32,33)