2-[[1-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[[1-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]quinoline-4-carboxylic acid Openeye Name: 2-[[1-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-hydroxy-4-oxo-butyl]carbamoyl]quinoline-4-carboxylic acid CAS Name: 2-[[[1-(4-ethoxycarbonyl-1-piperazinyl)-5-hydroxy-1,5-dioxopentan-2-yl]amino]-oxomethyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[[1-(4-ethoxycarbonylpiperazin-1-yl)-5-hydroxy-1,5-dioxopentan-2-yl]carbamoyl]quinoline-4-carboxylic acid Traditional Name: 2-[[1-(4-carbethoxypiperazine-1-carbonyl)-4-hydroxy-4-keto-butyl]carbamoyl]cinchoninic acid Formula: C23H26N4O8 MolecularWeight: 486.47454

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O8/c1-2-35-23(34)27-11-9-26(10-12-27)21(31)17(7-8-19(28)29)25-20(30)18-13-15(22(32)33)14-5-3-4-6-16(14)24-18/h3-6,13,17H,2,7-12H2,1H3,(H,25,30)(H,28,29)(H,32,33)