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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)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-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H21ClO5 MolecularWeight: 376.83074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClO5/c1-23-16-6-3-14(4-7-16)5-8-19(22)26-13-15-11-17(21)20-18(12-15)24-9-2-10-25-20/h3-4,6-7,11-12H,2,5,8-10,13H2,1H3