O2-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester O4-methyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O6/c1-11-17(19(27)30-3)12(2)23-18(11)20(28)31-10-16(26)24-21(29)25-22-7-13-4-14(8-22)6-15(5-13)9-22/h13-15,23H,4-10H2,1-3H3,(H2,24,25,26,29)