5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-carboxy-2-methyl-propoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(1-carboxy-2-methyl-propoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C28H36N4O9 MolecularWeight: 572.60684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC(C(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC(C(C)C)C(=O)O

InChI

InChI=1S/C28H36N4O9/c1-5-40-28(39)32-12-10-31(11-13-32)26(36)19(8-9-23(33)34)30-25(35)21-15-22(41-24(16(2)3)27(37)38)18-7-6-17(4)14-20(18)29-21/h6-7,14-16,19,24H,5,8-13H2,1-4H3,(H,30,35)(H,33,34)(H,37,38)