[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-(2-bromanylethanoyl)-N-(pyridin-2-ylmethyl)carbamate

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-(2-bromanylethanoyl)-N-(pyridin-2-ylmethyl)carbamate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl N-(2-bromoacetyl)-N-(2-pyridylmethyl)carbamate CAS Name: N-(2-bromo-1-oxoethyl)-N-(2-pyridinylmethyl)carbamic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-(2-bromoacetyl)-N-(pyridin-2-ylmethyl)carbamate Traditional Name: N-(2-bromoacetyl)-N-(2-pyridylmethyl)carbamic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C31H51BrN2O5 MolecularWeight: 611.65104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=N2)C(=O)CBr

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=N2)C(=O)CBr

InChI

InChI=1S/C31H51BrN2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-37-24-27-21-29(38-25-27)26-39-31(36)34(30(35)22-32)23-28-18-15-16-19-33-28/h15-16,18-19,27,29H,2-14,17,20-26H2,1H3