[4-[2,3-bis(oxidanyl)propoxycarbamoyl]-3-ethoxycarbonyloxy-2-methyl-azulen-1-yl] ethyl carbonate

Systemtic Name: [4-[2,3-bis(oxidanyl)propoxycarbamoyl]-3-ethoxycarbonyloxy-2-methyl-azulen-1-yl] ethyl carbonate Openeye Name: [4-(2,3-dihydroxypropoxycarbamoyl)-3-ethoxycarbonyloxy-2-methyl-azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [4-[(2,3-dihydroxypropoxyamino)-oxomethyl]-3-ethoxycarbonyloxy-2-methyl-1-azulenyl] ethyl ester IUPAC Name: [4-(2,3-dihydroxypropoxycarbamoyl)-3-ethoxycarbonyloxy-2-methylazulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [3-carbethoxyoxy-4-(glyceryloxycarbamoyl)-2-methyl-azulen-1-yl] ethyl ester Formula: C21H25NO10 MolecularWeight: 451.4239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C(=C2C1=CC=CC=C2C(=O)NOCC(CO)O)OC(=O)OCC)C

Isomeric SMILES

CCOC(=O)OC1=C(C(=C2C1=CC=CC=C2C(=O)NOCC(CO)O)OC(=O)OCC)C

InChI

InChI=1S/C21H25NO10/c1-4-28-20(26)31-17-12(3)18(32-21(27)29-5-2)16-14(17)8-6-7-9-15(16)19(25)22-30-11-13(24)10-23/h6-9,13,23-24H,4-5,10-11H2,1-3H3,(H,22,25)