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

Systemtic Name: tert-butyl 3-carbamimidoyl-4-(3-propanoyloxy-4,5-dihydro-1,2-oxazol-5-yl)benzoate Openeye Name: tert-butyl 3-carbamimidoyl-4-(3-propanoyloxy-4,5-dihydroisoxazol-5-yl)benzoate CAS Name: 3-carbamimidoyl-4-[3-(1-oxopropoxy)-4,5-dihydroisoxazol-5-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamimidoyl-4-(3-propanoyloxy-4,5-dihydro-1,2-oxazol-5-yl)benzoate Traditional Name: 3-amidino-4-(3-propionyloxy-2-isoxazolin-5-yl)benzoic acid tert-butyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-5-15(22)24-14-9-13(26-21-14)11-7-6-10(8-12(11)16(19)20)17(23)25-18(2,3)4/h6-8,13H,5,9H2,1-4H3,(H3,19,20)