(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2-methoxyphenoxy)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2-methoxyphenoxy)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2-methoxyphenoxy)propanoate CAS Name: 3-(2-methoxyphenoxy)propanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2-methoxyphenoxy)propanoate Traditional Name: 3-(2-methoxyphenoxy)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H21ClO6 MolecularWeight: 392.83014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC=C1OCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClO6/c1-23-16-5-2-3-6-17(16)25-10-7-19(22)27-13-14-11-15(21)20-18(12-14)24-8-4-9-26-20/h2-3,5-6,11-12H,4,7-10,13H2,1H3