tert-butyl 5-[(Z)-1-isocyanobut-1-enyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(Z)-1-isocyanobut-1-enyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(Z)-1-isocyanobut-1-enyl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 5-[(Z)-1-isocyanobut-1-enyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(Z)-1-isocyanobut-1-enyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-[(Z)-1-isocyanobut-1-enyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=C(C(=C(N1)C(=O)OC(C)(C)C)CCC(=O)OC)CC(=O)OC)[N+]#[C-]

Isomeric SMILES

CC/C=C(/C1=C(C(=C(N1)C(=O)OC(C)(C)C)CCC(=O)OC)CC(=O)OC)\[N+]#[C-]

InChI

InChI=1S/C21H28N2O6/c1-8-9-15(22-5)18-14(12-17(25)28-7)13(10-11-16(24)27-6)19(23-18)20(26)29-21(2,3)4/h9,23H,8,10-12H2,1-4,6-7H3/b15-9-