[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H19NO7 MolecularWeight: 409.38876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19NO7/c1-12-3-5-17-15(7-12)16(24)9-20(30-17)22(26)29-13(2)21(25)23-10-14-4-6-18-19(8-14)28-11-27-18/h3-9,13H,10-11H2,1-2H3,(H,23,25)/t13-/m1/s1