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

Systemtic Name: [3-ethoxycarbonyloxy-2-methyl-4-(4-oxidanylbutoxycarbamoyl)azulen-1-yl] ethyl carbonate Openeye Name: [3-ethoxycarbonyloxy-4-(4-hydroxybutoxycarbamoyl)-2-methyl-azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [3-ethoxycarbonyloxy-4-[(4-hydroxybutoxyamino)-oxomethyl]-2-methyl-1-azulenyl] ethyl ester IUPAC Name: [3-ethoxycarbonyloxy-4-(4-hydroxybutoxycarbamoyl)-2-methylazulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [3-carbethoxyoxy-4-(4-hydroxybutoxycarbamoyl)-2-methyl-azulen-1-yl] ethyl ester Formula: C22H27NO9 MolecularWeight: 449.45108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO9/c1-4-28-21(26)31-18-14(3)19(32-22(27)29-5-2)17-15(18)10-6-7-11-16(17)20(25)23-30-13-9-8-12-24/h6-7,10-11,24H,4-5,8-9,12-13H2,1-3H3,(H,23,25)