[(Z)-3-tert-butyl-3-ethoxycarbonyl-4-imidazol-1-yl-1-phenyl-dec-1-enyl] 4-fluoranylbenzoate

Systemtic Name: [(Z)-3-tert-butyl-3-ethoxycarbonyl-4-imidazol-1-yl-1-phenyl-dec-1-enyl] 4-fluoranylbenzoate Openeye Name: [(Z)-3-tert-butyl-3-ethoxycarbonyl-4-imidazol-1-yl-1-phenyl-dec-1-enyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(Z)-3-tert-butyl-3-ethoxycarbonyl-4-(1-imidazolyl)-1-phenyldec-1-enyl] ester IUPAC Name: [(Z)-3-tert-butyl-3-ethoxycarbonyl-4-imidazol-1-yl-1-phenyldec-1-enyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(Z)-3-tert-butyl-3-carbethoxy-4-imidazol-1-yl-1-phenyl-dec-1-enyl] ester Formula: C33H41FN2O4 MolecularWeight: 548.688043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C=C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)F)(C(=O)OCC)C(C)(C)C)N3C=CN=C3

Isomeric SMILES

CCCCCCC(C(/C=C(/C1=CC=CC=C1)\OC(=O)C2=CC=C(C=C2)F)(C(=O)OCC)C(C)(C)C)N3C=CN=C3

InChI

InChI=1S/C33H41FN2O4/c1-6-8-9-13-16-29(36-22-21-35-24-36)33(32(3,4)5,31(38)39-7-2)23-28(25-14-11-10-12-15-25)40-30(37)26-17-19-27(34)20-18-26/h10-12,14-15,17-24,29H,6-9,13,16H2,1-5H3/b28-23-