5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-(2-oxidanylidene-2-phenylmethoxy-ethoxy)quinolin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-(2-oxidanylidene-2-phenylmethoxy-ethoxy)quinolin-2-yl]carbonylamino]pentanoic acid Openeye Name: 4-[[4-(2-benzyloxy-2-oxo-ethoxy)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[4-(2-oxo-2-phenylmethoxyethoxy)-2-quinolinyl]methyl]amino]pentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[4-(2-oxo-2-phenylmethoxyethoxy)quinoline-2-carbonyl]amino]pentanoic acid Traditional Name: 4-[[4-(2-benzoxy-2-keto-ethoxy)quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C31H34N4O9 MolecularWeight: 606.62306

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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)OCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O9/c1-2-42-31(41)35-16-14-34(15-17-35)30(40)24(12-13-27(36)37)33-29(39)25-18-26(22-10-6-7-11-23(22)32-25)43-20-28(38)44-19-21-8-4-3-5-9-21/h3-11,18,24H,2,12-17,19-20H2,1H3,(H,33,39)(H,36,37)