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

Systemtic Name: tert-butyl 1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidine-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-amidinophenyl)-2-keto-oxazolidine-5-carbonyl]isonipecotic acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H28N4O5/c1-21(2,3)30-19(27)14-8-10-24(11-9-14)18(26)16-12-25(20(28)29-16)15-6-4-13(5-7-15)17(22)23/h4-7,14,16H,8-12H2,1-3H3,(H3,22,23)