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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)OC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

InChI

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