methyl 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylic acid methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)OC)C#N)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)OC)C#N)OCCO2

InChI

InChI=1S/C18H21NO5/c1-21-14-4-3-13(15-16(14)24-10-9-23-15)18(11-19)7-5-12(6-8-18)17(20)22-2/h3-4,12H,5-10H2,1-2H3