tert-butyl 4-(3-acetyloxy-4,5-dihydro-1,2-oxazol-5-yl)-3-carbamimidoyl-benzoate

Systemtic Name: tert-butyl 4-(3-acetyloxy-4,5-dihydro-1,2-oxazol-5-yl)-3-carbamimidoyl-benzoate Openeye Name: tert-butyl 4-(3-acetoxy-4,5-dihydroisoxazol-5-yl)-3-carbamimidoyl-benzoate CAS Name: 4-(3-acetyloxy-4,5-dihydroisoxazol-5-yl)-3-carbamimidoylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-acetyloxy-4,5-dihydro-1,2-oxazol-5-yl)-3-carbamimidoylbenzoate Traditional Name: 4-(3-acetoxy-2-isoxazolin-5-yl)-3-amidino-benzoic acid tert-butyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NOC(C1)C2=C(C=C(C=C2)C(=O)OC(C)(C)C)C(=N)N

Isomeric SMILES

CC(=O)OC1=NOC(C1)C2=C(C=C(C=C2)C(=O)OC(C)(C)C)C(=N)N

InChI

InChI=1S/C17H21N3O5/c1-9(21)23-14-8-13(25-20-14)11-6-5-10(7-12(11)15(18)19)16(22)24-17(2,3)4/h5-7,13H,8H2,1-4H3,(H3,18,19)