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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)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-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C22H25ClO5 MolecularWeight: 404.8839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)C(C)C

InChI

InChI=1S/C22H25ClO5/c1-14(2)18-6-5-17(9-15(18)3)27-13-21(24)28-12-16-10-19(23)22-20(11-16)25-7-4-8-26-22/h5-6,9-11,14H,4,7-8,12-13H2,1-3H3