tert-butyl 7-(3-azanylpropyl)-6-bromanyl-2-ethyl-2H-1,3-benzoxazole-3-carboxylate

Systemtic Name: tert-butyl 7-(3-azanylpropyl)-6-bromanyl-2-ethyl-2H-1,3-benzoxazole-3-carboxylate Openeye Name: tert-butyl 7-(3-aminopropyl)-6-bromo-2-ethyl-2H-1,3-benzoxazole-3-carboxylate CAS Name: 7-(3-aminopropyl)-6-bromo-2-ethyl-2H-1,3-benzoxazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(3-aminopropyl)-6-bromo-2-ethyl-2H-1,3-benzoxazole-3-carboxylate Traditional Name: 7-(3-aminopropyl)-6-bromo-2-ethyl-2H-1,3-benzoxazole-3-carboxylic acid tert-butyl ester Formula: C17H25BrN2O3 MolecularWeight: 385.296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C2=C(O1)C(=C(C=C2)Br)CCCN)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1N(C2=C(O1)C(=C(C=C2)Br)CCCN)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25BrN2O3/c1-5-14-20(16(21)23-17(2,3)4)13-9-8-12(18)11(7-6-10-19)15(13)22-14/h8-9,14H,5-7,10,19H2,1-4H3