methyl 2-[[(3S)-7-bromanyl-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-3-yl]oxy]-2-methyl-propanoate

Systemtic Name: methyl 2-[[(3S)-7-bromanyl-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-3-yl]oxy]-2-methyl-propanoate Openeye Name: methyl 2-[[(3S)-7-bromo-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-3-yl]oxy]-2-methyl-propanoate CAS Name: 2-[[(3S)-7-bromo-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-3-yl]oxy]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-7-bromo-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-3-yl]oxy]-2-methylpropanoate Traditional Name: 2-[[(3S)-7-bromo-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-3-yl]oxy]-2-methyl-propionic acid methyl ester Formula: C16H21BrO5 MolecularWeight: 373.23894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(COC2=C(O1)C=C(C=C2)Br)OC(C)(C)C(=O)OC)C

Isomeric SMILES

CC1([C@H](COC2=C(O1)C=C(C=C2)Br)OC(C)(C)C(=O)OC)C

InChI

InChI=1S/C16H21BrO5/c1-15(2)13(22-16(3,4)14(18)19-5)9-20-11-7-6-10(17)8-12(11)21-15/h6-8,13H,9H2,1-5H3/t13-/m0/s1