methyl 4-(3-chloranylpropyl)-3-oxidanyl-2,3-dihydro-1,5-benzodioxepine-4-carboxylate

Systemtic Name: methyl 4-(3-chloranylpropyl)-3-oxidanyl-2,3-dihydro-1,5-benzodioxepine-4-carboxylate Openeye Name: methyl 4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzodioxepine-4-carboxylate CAS Name: 4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzodioxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzodioxepine-4-carboxylate Traditional Name: 4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzodioxepin-4-carboxylic acid methyl ester Formula: C14H17ClO5 MolecularWeight: 300.73478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(COC2=CC=CC=C2O1)O)CCCCl

Isomeric SMILES

COC(=O)C1(C(COC2=CC=CC=C2O1)O)CCCCl

InChI

InChI=1S/C14H17ClO5/c1-18-13(17)14(7-4-8-15)12(16)9-19-10-5-2-3-6-11(10)20-14/h2-3,5-6,12,16H,4,7-9H2,1H3