tert-butyl 2-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanoate Openeye Name: tert-butyl 2-[5-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-3-yl]acetate CAS Name: 2-[5-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]acetate Traditional Name: 2-[5-(4-amidinophenyl)-2-isoxazolin-3-yl]acetic acid tert-butyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=NOC(C1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CC1=NOC(C1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H21N3O3/c1-16(2,3)21-14(20)9-12-8-13(22-19-12)10-4-6-11(7-5-10)15(17)18/h4-7,13H,8-9H2,1-3H3,(H3,17,18)