methyl 6-bromanyl-2-methyl-3-(octadecylcarbamoyloxy)-2-(oxetan-3-yl)hexanoate

Systemtic Name: methyl 6-bromanyl-2-methyl-3-(octadecylcarbamoyloxy)-2-(oxetan-3-yl)hexanoate Openeye Name: methyl 6-bromo-2-methyl-3-(octadecylcarbamoyloxy)-2-(oxetan-3-yl)hexanoate CAS Name: 6-bromo-2-methyl-3-[(octadecylamino)-oxomethoxy]-2-(3-oxetanyl)hexanoic acid methyl ester IUPAC Name: methyl 6-bromo-2-methyl-3-(octadecylcarbamoyloxy)-2-(oxetan-3-yl)hexanoate Traditional Name: 6-bromo-2-methyl-2-(oxetan-3-yl)-3-(stearylcarbamoyloxy)hexanoic acid methyl ester Formula: C30H56BrNO5 MolecularWeight: 590.67334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC(CCCBr)C(C)(C1COC1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC(CCCBr)C(C)(C1COC1)C(=O)OC

InChI

InChI=1S/C30H56BrNO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-29(34)37-27(21-20-22-31)30(2,28(33)35-3)26-24-36-25-26/h26-27H,4-25H2,1-3H3,(H,32,34)