tert-butyl 2-[4-[[3-(3-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[[3-(3-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[[3-(3-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[3-(3-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methyl]-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[[3-(3-amidinophenyl)-2-keto-oxazolidin-5-yl]methyl]piperazino]acetic acid tert-butyl ester Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)CC2CN(C(=O)O2)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)CC2CN(C(=O)O2)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H31N5O4/c1-21(2,3)30-18(27)14-25-9-7-24(8-10-25)12-17-13-26(20(28)29-17)16-6-4-5-15(11-16)19(22)23/h4-6,11,17H,7-10,12-14H2,1-3H3,(H3,22,23)