(2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxidanylidene-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: (2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxidanylidene-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: (2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxo-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 5-[[bis(2-ethoxy-2-oxoethyl)amino]-oxomethoxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (2,4,6-trimethylcyclohexyl) ester IUPAC Name: (2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxoethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 5-[bis(2-ethoxy-2-keto-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (2,4,6-trimethylcyclohexyl) ester Formula: C33H41N5O8 MolecularWeight: 635.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)OCC)C(=O)OC1=C(C(=C2N1NC(=N2)C3=CC(=CC(=C3)C)C)C(=O)OC4C(CC(CC4C)C)C)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CN(CC(=O)OCC)C(=O)OC1=C(C(=C2N1NC(=N2)C3=CC(=CC(=C3)C)C)C(=O)OC4C(CC(CC4C)C)C)[N+]#[C-]

InChI

InChI=1S/C33H41N5O8/c1-9-43-24(39)16-37(17-25(40)44-10-2)33(42)46-31-27(34-8)26(32(41)45-28-21(6)12-20(5)13-22(28)7)30-35-29(36-38(30)31)23-14-18(3)11-19(4)15-23/h11,14-15,20-22,28H,9-10,12-13,16-17H2,1-7H3,(H,35,36)