methyl 2-[[1-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]quinoline-4-carboxylate

Systemtic Name: methyl 2-[[1-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]quinoline-4-carboxylate Openeye Name: methyl 2-[[4-tert-butoxy-1-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-oxo-butyl]carbamoyl]quinoline-4-carboxylate CAS Name: 2-[[[1-(4-ethoxycarbonyl-1-piperazinyl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]quinoline-4-carboxylate Traditional Name: 2-[[4-tert-butoxy-1-(4-carbethoxypiperazine-1-carbonyl)-4-keto-butyl]carbamoyl]cinchoninic acid methyl ester Formula: C28H36N4O8 MolecularWeight: 556.60744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O8/c1-6-39-27(37)32-15-13-31(14-16-32)25(35)21(11-12-23(33)40-28(2,3)4)30-24(34)22-17-19(26(36)38-5)18-9-7-8-10-20(18)29-22/h7-10,17,21H,6,11-16H2,1-5H3,(H,30,34)