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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic 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-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C25H23ClO6 MolecularWeight: 454.89952

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C25H23ClO6/c26-22-13-19(14-23-25(22)29-12-4-11-28-23)16-32-24(27)17-31-21-9-7-20(8-10-21)30-15-18-5-2-1-3-6-18/h1-3,5-10,13-14H,4,11-12,15-17H2