propan-2-yl (4R)-6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl (4R)-6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: isopropyl (4R)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid isopropyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@@H](C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

InChI

InChI=1S/C18H18N2O5/c1-9(2)24-18(21)15-10(3)25-17(20)12(7-19)16(15)11-4-5-13-14(6-11)23-8-22-13/h4-6,9,16H,8,20H2,1-3H3/t16-/m1/s1