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

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-bromanylhexanoate Openeye Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-3-pyridyl] 6-bromohexanoate CAS Name: 6-bromohexanoic 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-bromohexanoate Traditional Name: 6-bromohexanoic acid [2-[(7-ethyl-8-isobutyryloxy-2,6-diketo-9-methyl-1,5-dioxonan-3-yl)carbamoyl]-4-methyl-3-pyridyl] ester Formula: C27H37BrN2O9 MolecularWeight: 613.49468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OC(=O)CCCCCBr)C)C)OC(=O)C(C)C

Isomeric SMILES

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OC(=O)CCCCCBr)C)C)OC(=O)C(C)C

InChI

InChI=1S/C27H37BrN2O9/c1-6-18-23(39-25(33)15(2)3)17(5)37-27(35)19(14-36-26(18)34)30-24(32)21-22(16(4)11-13-29-21)38-20(31)10-8-7-9-12-28/h11,13,15,17-19,23H,6-10,12,14H2,1-5H3,(H,30,32)