tert-butyl 2-[5-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]ethanoate Openeye Name: tert-butyl 2-[5-[4-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]phenyl]-4,5-dihydroisoxazol-3-yl]acetate CAS Name: 2-[5-[4-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]phenyl]-4,5-dihydroisoxazol-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]acetate Traditional Name: 2-[5-[4-[(Z)-N'-tert-butoxycarbonylamidino]phenyl]-2-isoxazolin-3-yl]acetic acid tert-butyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-20(2,3)27-17(25)12-15-11-16(29-24-15)13-7-9-14(10-8-13)18(22)23-19(26)28-21(4,5)6/h7-10,16H,11-12H2,1-6H3,(H2,22,23,26)