tert-butyl N-[3-(3-azanylpropyl)-5-bromanyl-2-oxidanyl-phenyl]-N-propanoyl-carbamate

Systemtic Name: tert-butyl N-[3-(3-azanylpropyl)-5-bromanyl-2-oxidanyl-phenyl]-N-propanoyl-carbamate Openeye Name: tert-butyl N-[3-(3-aminopropyl)-5-bromo-2-hydroxy-phenyl]-N-propanoyl-carbamate CAS Name: N-[3-(3-aminopropyl)-5-bromo-2-hydroxyphenyl]-N-(1-oxopropyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3-aminopropyl)-5-bromo-2-hydroxyphenyl]-N-propanoylcarbamate Traditional Name: N-[3-(3-aminopropyl)-5-bromo-2-hydroxy-phenyl]-N-propionyl-carbamic acid tert-butyl ester Formula: C17H25BrN2O4 MolecularWeight: 401.2954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C(=CC(=C1)Br)CCCN)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)N(C1=C(C(=CC(=C1)Br)CCCN)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25BrN2O4/c1-5-14(21)20(16(23)24-17(2,3)4)13-10-12(18)9-11(15(13)22)7-6-8-19/h9-10,22H,5-8,19H2,1-4H3