tert-butyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: tert-butyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate Openeye Name: tert-butyl 4-[[2-butyl-5-[(Z)-(1-butyl-2,5-dioxo-imidazolidin-4-ylidene)methyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-(1-butyl-2,5-dioxo-4-imidazolidinylidene)methyl]-1-imidazolyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-butyl-5-[(Z)-(1-butyl-2,5-dioxoimidazolidin-4-ylidene)methyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-(1-butyl-2,5-diketo-imidazolidin-4-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid tert-butyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC(C)(C)C)C=C3C(=O)N(C(=O)N3)CCCC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC(C)(C)C)/C=C\3/C(=O)N(C(=O)N3)CCCC

InChI

InChI=1S/C27H36N4O4/c1-6-8-10-23-28-17-21(16-22-24(32)30(15-9-7-2)26(34)29-22)31(23)18-19-11-13-20(14-12-19)25(33)35-27(3,4)5/h11-14,16-17H,6-10,15,18H2,1-5H3,(H,29,34)/b22-16-