tert-butyl N-(16-bromanylhexadecyl)-N-(4-imidazol-1-ylcarbonylphenyl)carbamate

Systemtic Name: tert-butyl N-(16-bromanylhexadecyl)-N-(4-imidazol-1-ylcarbonylphenyl)carbamate Openeye Name: tert-butyl N-(16-bromohexadecyl)-N-[4-(imidazole-1-carbonyl)phenyl]carbamate CAS Name: N-(16-bromohexadecyl)-N-[4-[1-imidazolyl(oxo)methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(16-bromohexadecyl)-N-[4-(imidazole-1-carbonyl)phenyl]carbamate Traditional Name: N-(16-bromohexadecyl)-N-[4-(imidazole-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C31H48BrN3O3 MolecularWeight: 590.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCCCCCCCCCCCBr)C1=CC=C(C=C1)C(=O)N2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCCCCCCCCCCCBr)C1=CC=C(C=C1)C(=O)N2C=CN=C2

InChI

InChI=1S/C31H48BrN3O3/c1-31(2,3)38-30(37)35(28-20-18-27(19-21-28)29(36)34-25-23-33-26-34)24-17-15-13-11-9-7-5-4-6-8-10-12-14-16-22-32/h18-21,23,25-26H,4-17,22,24H2,1-3H3