methyl 6-chloranyl-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylate

Systemtic Name: methyl 6-chloranyl-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylate Openeye Name: methyl 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylate CAS Name: 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylate Traditional Name: 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester Formula: C22H23ClO4 MolecularWeight: 386.86862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1OC2=C(C=C(C=C2)Cl)C(O1)(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1OC2=C(C=C(C=C2)Cl)C(O1)(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClO4/c1-25-20(24)21-26-19-13-12-17(23)14-18(19)22(27-21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,21H,3,6-7,10-11H2,1H3