tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxo-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(deuteriomethyl)-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-(deuteriomethyl)-4-(3-keto-3-methoxy-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C15H23NO4 MolecularWeight: 285.372067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OC(C)(C)C

Isomeric SMILES

[2H]CC1=C(C(=C(N1)C(=O)OC(C)(C)C)C([2H])([2H])[2H])CCC(=O)OC

InChI

InChI=1S/C15H23NO4/c1-9-11(7-8-12(17)19-6)10(2)16-13(9)14(18)20-15(3,4)5/h16H,7-8H2,1-6H3/i1D3,2D