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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)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 (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18ClNO5/c1-13(27-16-5-3-14(11-22)4-6-16)20(23)26-12-15-9-17(21)19-18(10-15)24-7-2-8-25-19/h3-6,9-10,13H,2,7-8,12H2,1H3/t13-/m1/s1