(2,6-ditert-butyl-4-methyl-cyclohexyl) 6-bromanyl-4-oxidanylidene-2-phenoxy-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 6-bromanyl-4-oxidanylidene-2-phenoxy-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 6-bromo-4-oxo-2-phenoxy-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 6-bromo-4-oxo-2-phenoxy-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 6-bromo-4-oxo-2-phenoxy-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 6-bromo-4-keto-2-phenoxy-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C34H40BrN3O4 MolecularWeight: 634.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=NC(=O)N3C(=C2C4=CC=CC=C4)Br)OC5=CC=CC=C5)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=NC(=O)N3C(=C2C4=CC=CC=C4)Br)OC5=CC=CC=C5)C(C)(C)C

InChI

InChI=1S/C34H40BrN3O4/c1-20-18-23(33(2,3)4)27(24(19-20)34(5,6)7)42-30(39)26-25(21-14-10-8-11-15-21)28(35)38-29(26)36-31(37-32(38)40)41-22-16-12-9-13-17-22/h8-17,20,23-24,27H,18-19H2,1-7H3,(H,36,37,40)