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

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] 4-propylbenzoate Openeye Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-3-pyridyl] 4-propylbenzoate CAS Name: 4-propylbenzoic 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] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [2-[(7-ethyl-8-isobutyryloxy-2,6-diketo-9-methyl-1,5-dioxonan-3-yl)carbamoyl]-4-methyl-3-pyridyl] ester Formula: C31H38N2O9 MolecularWeight: 582.64142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2=C(C=CN=C2C(=O)NC3COC(=O)C(C(C(OC3=O)C)OC(=O)C(C)C)CC)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2=C(C=CN=C2C(=O)NC3COC(=O)C(C(C(OC3=O)C)OC(=O)C(C)C)CC)C

InChI

InChI=1S/C31H38N2O9/c1-7-9-20-10-12-21(13-11-20)29(36)41-25-18(5)14-15-32-24(25)27(34)33-23-16-39-30(37)22(8-2)26(19(6)40-31(23)38)42-28(35)17(3)4/h10-15,17,19,22-23,26H,7-9,16H2,1-6H3,(H,33,34)