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

Systemtic Name: O2-[2-(2-adamantylamino)-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2-adamantylamino)-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-(2-adamantylamino)-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(2-adamantylamino)-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-(2-adamantylamino)-2-keto-ethyl] ester O4-methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H28N2O5/c1-10-17(20(25)27-3)11(2)22-18(10)21(26)28-9-16(24)23-19-14-5-12-4-13(7-14)8-15(19)6-12/h12-15,19,22H,4-9H2,1-3H3,(H,23,24)