(phenylmethyl) N-(16-bromanylhexadecyl)-N-(4-carbonochloridoylphenyl)carbamate

Systemtic Name: (phenylmethyl) N-(16-bromanylhexadecyl)-N-(4-carbonochloridoylphenyl)carbamate Openeye Name: benzyl N-(16-bromohexadecyl)-N-(4-chlorocarbonylphenyl)carbamate CAS Name: N-(16-bromohexadecyl)-N-(4-carbonochloridoylphenyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(16-bromohexadecyl)-N-(4-carbonochloridoylphenyl)carbamate Traditional Name: N-(16-bromohexadecyl)-N-(4-chlorocarbonylphenyl)carbamic acid benzyl ester Formula: C31H43BrClNO3 MolecularWeight: 593.03502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCCCCCCCCCCCCCCCBr)C2=CC=C(C=C2)C(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCCCCCCCCCCCCCCCBr)C2=CC=C(C=C2)C(=O)Cl

InChI

InChI=1S/C31H43BrClNO3/c32-24-16-11-9-7-5-3-1-2-4-6-8-10-12-17-25-34(29-22-20-28(21-23-29)30(33)35)31(36)37-26-27-18-14-13-15-19-27/h13-15,18-23H,1-12,16-17,24-26H2