ethyl 6-azanyl-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-propyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C(=C2)OC)OCO3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C(=C2)OC)OCO3)C(=O)OCC

InChI

InChI=1S/C20H22N2O6/c1-4-6-13-17(20(23)25-5-2)16(12(9-21)19(22)28-13)11-7-14(24-3)18-15(8-11)26-10-27-18/h7-8,16H,4-6,10,22H2,1-3H3