dimethyl 4-cyano-4-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)heptanedioate

Systemtic Name: dimethyl 4-cyano-4-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)heptanedioate Openeye Name: dimethyl 4-cyano-4-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)heptanedioate CAS Name: 4-cyano-4-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)heptanedioate Traditional Name: 4-cyano-4-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pimelic acid dimethyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C(CCC(=O)OC)(CCC(=O)OC)C#N)OCCO2)C

Isomeric SMILES

CC1=CC(=C2C(=C1C(CCC(=O)OC)(CCC(=O)OC)C#N)OCCO2)C

InChI

InChI=1S/C20H25NO6/c1-13-11-14(2)18-19(27-10-9-26-18)17(13)20(12-21,7-5-15(22)24-3)8-6-16(23)25-4/h11H,5-10H2,1-4H3