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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-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] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H20ClNO6/c1-12(20(24)23-9-13-2-4-18-19(6-13)28-11-27-18)29-21(25)15-7-14-8-16(22)3-5-17(14)26-10-15/h2-6,8,12,15H,7,9-11H2,1H3,(H,23,24)/t12-,15-/m1/s1