5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-1-oxidanylidene-butan-2-yl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-1-oxidanylidene-butan-2-yl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxycarbonylpropoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-ethoxy-1-oxobutan-2-yl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-1-oxobutan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(1-carbethoxypropoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C29H38N4O9 MolecularWeight: 586.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(C(=O)OCC)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C29H38N4O9/c1-5-23(28(38)40-6-2)42-24-17-22(30-21-16-18(4)8-9-19(21)24)26(36)31-20(10-11-25(34)35)27(37)32-12-14-33(15-13-32)29(39)41-7-3/h8-9,16-17,20,23H,5-7,10-15H2,1-4H3,(H,31,36)(H,34,35)