dimethyl 2-[(3S,4R)-4-cyano-6-methoxy-3,4-dihydro-2H-chromen-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(3S,4R)-4-cyano-6-methoxy-3,4-dihydro-2H-chromen-3-yl]propanedioate Openeye Name: dimethyl 2-[(3S,4R)-4-cyano-6-methoxy-chroman-3-yl]propanedioate CAS Name: 2-[(3S,4R)-4-cyano-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3S,4R)-4-cyano-6-methoxy-3,4-dihydro-2H-chromen-3-yl]propanedioate Traditional Name: 2-[(3S,4R)-4-cyano-6-methoxy-chroman-3-yl]malonic acid dimethyl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C2C#N)C(C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)OC[C@@H]([C@H]2C#N)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H17NO6/c1-20-9-4-5-13-10(6-9)11(7-17)12(8-23-13)14(15(18)21-2)16(19)22-3/h4-6,11-12,14H,8H2,1-3H3/t11-,12-/m0/s1