[5-[bis(2-methoxy-2-oxidanylidene-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] 2,4,6-trimethylcyclohexane-1-carboxylate

Systemtic Name: [5-[bis(2-methoxy-2-oxidanylidene-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] 2,4,6-trimethylcyclohexane-1-carboxylate Openeye Name: [5-[bis(2-methoxy-2-oxo-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] 2,4,6-trimethylcyclohexanecarboxylate CAS Name: 2,4,6-trimethyl-1-cyclohexanecarboxylic acid [5-[[bis(2-methoxy-2-oxoethyl)amino]-oxomethoxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] ester IUPAC Name: [5-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] 2,4,6-trimethylcyclohexane-1-carboxylate Traditional Name: 2,4,6-trimethylcyclohexanecarboxylic acid [5-[bis(2-keto-2-methoxy-ethyl)carbamoyloxy]-2-(3,5-dimethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] ester Formula: C31H37N5O8 MolecularWeight: 607.65418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C)C(=O)OC2=C3N=C(NN3C(=C2[N+]#[C-])OC(=O)N(CC(=O)OC)CC(=O)OC)C4=CC(=CC(=C4)C)C)C

Isomeric SMILES

CC1CC(C(C(C1)C)C(=O)OC2=C3N=C(NN3C(=C2[N+]#[C-])OC(=O)N(CC(=O)OC)CC(=O)OC)C4=CC(=CC(=C4)C)C)C

InChI

InChI=1S/C31H37N5O8/c1-16-9-17(2)13-21(12-16)27-33-28-26(43-30(39)24-19(4)10-18(3)11-20(24)5)25(32-6)29(36(28)34-27)44-31(40)35(14-22(37)41-7)15-23(38)42-8/h9,12-13,18-20,24H,10-11,14-15H2,1-5,7-8H3,(H,33,34)