tert-butyl 2-[1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidin-3-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidin-3-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidine-5-carbonyl]-3-piperidyl]oxy]acetate CAS Name: 2-[[1-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]-3-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidin-3-yl]oxyacetate Traditional Name: 2-[[1-[3-(4-amidinophenyl)-2-keto-oxazolidine-5-carbonyl]-3-piperidyl]oxy]acetic acid tert-butyl ester Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCCN(C1)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCCN(C1)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H30N4O6/c1-22(2,3)32-18(27)13-30-16-5-4-10-25(11-16)20(28)17-12-26(21(29)31-17)15-8-6-14(7-9-15)19(23)24/h6-9,16-17H,4-5,10-13H2,1-3H3,(H3,23,24)