[2-acetamido-3-butyl-4-methyl-6-(oxidanylcarbamoyl)azulen-1-yl] ethyl carbonate

Systemtic Name: [2-acetamido-3-butyl-4-methyl-6-(oxidanylcarbamoyl)azulen-1-yl] ethyl carbonate Openeye Name: [2-acetamido-3-butyl-6-(hydroxycarbamoyl)-4-methyl-azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [2-acetamido-3-butyl-6-[(hydroxyamino)-oxomethyl]-4-methyl-1-azulenyl] ethyl ester IUPAC Name: [2-acetamido-3-butyl-6-(hydroxycarbamoyl)-4-methylazulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [2-acetamido-3-butyl-6-(hydroxycarbamoyl)-4-methyl-azulen-1-yl] ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2C1=C(C=C(C=C2)C(=O)NO)C)OC(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCC1=C(C(=C2C1=C(C=C(C=C2)C(=O)NO)C)OC(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H26N2O6/c1-5-7-8-15-17-12(3)11-14(20(25)23-27)9-10-16(17)19(18(15)22-13(4)24)29-21(26)28-6-2/h9-11,27H,5-8H2,1-4H3,(H,22,24)(H,23,25)