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

Systemtic Name: O2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-keto-ethyl] ester O4-methyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O5/c1-12-18(20(26)28-3)13(2)24-19(12)21(27)29-10-17(25)23-11-22-7-14-4-15(8-22)6-16(5-14)9-22/h14-16,24H,4-11H2,1-3H3,(H,23,25)