2-ethylhexyl 2-(3-methylbutyl)-4-oxidanylidene-6-phenoxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate

Systemtic Name: 2-ethylhexyl 2-(3-methylbutyl)-4-oxidanylidene-6-phenoxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate Openeye Name: 2-ethylhexyl 2-isopentyl-4-oxo-6-phenoxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate CAS Name: 2-(3-methylbutyl)-4-oxo-6-phenoxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-(3-methylbutyl)-4-oxo-6-phenoxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate Traditional Name: 2-isoamyl-4-keto-6-phenoxy-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylic acid 2-ethylhexyl ester Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(N2C(=C1C3=CC=CC=C3)NC(=NC2=O)CCC(C)C)OC4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(N2C(=C1C3=CC=CC=C3)NC(=NC2=O)CCC(C)C)OC4=CC=CC=C4

InChI

InChI=1S/C32H39N3O4/c1-5-7-14-23(6-2)21-38-31(36)28-27(24-15-10-8-11-16-24)29-33-26(20-19-22(3)4)34-32(37)35(29)30(28)39-25-17-12-9-13-18-25/h8-13,15-18,22-23H,5-7,14,19-21H2,1-4H3,(H,33,34,37)