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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-phenoxypropanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic 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 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H19ClO5 MolecularWeight: 362.80416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClO5/c1-13(25-15-6-3-2-4-7-15)19(21)24-12-14-10-16(20)18-17(11-14)22-8-5-9-23-18/h2-4,6-7,10-11,13H,5,8-9,12H2,1H3