[3-ethoxycarbonyloxy-2-methyl-4-(3-oxidanylpropoxycarbamoyl)azulen-1-yl] ethyl carbonate

Systemtic Name: [3-ethoxycarbonyloxy-2-methyl-4-(3-oxidanylpropoxycarbamoyl)azulen-1-yl] ethyl carbonate Openeye Name: [3-ethoxycarbonyloxy-4-(3-hydroxypropoxycarbamoyl)-2-methyl-azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [3-ethoxycarbonyloxy-4-[(3-hydroxypropoxyamino)-oxomethyl]-2-methyl-1-azulenyl] ethyl ester IUPAC Name: [3-ethoxycarbonyloxy-4-(3-hydroxypropoxycarbamoyl)-2-methylazulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [3-carbethoxyoxy-4-(3-hydroxypropoxycarbamoyl)-2-methyl-azulen-1-yl] ethyl ester Formula: C21H25NO9 MolecularWeight: 435.4245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO9/c1-4-27-20(25)30-17-13(3)18(31-21(26)28-5-2)16-14(17)9-6-7-10-15(16)19(24)22-29-12-8-11-23/h6-7,9-10,23H,4-5,8,11-12H2,1-3H3,(H,22,24)