[2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-bis(oxidanylidene)-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-pyridin-3-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-bis(oxidanylidene)-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-pyridin-3-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-3-pyridyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[[[7-ethyl-9-methyl-8-(2-methyl-1-oxopropoxy)-2,6-dioxo-1,5-dioxonan-3-yl]amino]-oxomethyl]-4-methyl-3-pyridinyl] ester IUPAC Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methylpyridin-3-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[(7-ethyl-8-isobutyryloxy-2,6-diketo-9-methyl-1,5-dioxonan-3-yl)carbamoyl]-4-methyl-3-pyridyl] ester Formula: C27H30ClN3O9 MolecularWeight: 575.9948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OC(=O)C3=CN=C(C=C3)Cl)C)C)OC(=O)C(C)C

Isomeric SMILES

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OC(=O)C3=CN=C(C=C3)Cl)C)C)OC(=O)C(C)C

InChI

InChI=1S/C27H30ClN3O9/c1-6-17-22(40-24(33)13(2)3)15(5)38-27(36)18(12-37-26(17)35)31-23(32)20-21(14(4)9-10-29-20)39-25(34)16-7-8-19(28)30-11-16/h7-11,13,15,17-18,22H,6,12H2,1-5H3,(H,31,32)