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

Systemtic Name: O4-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(1-adamantylmethylamino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(1-adamantylmethylamino)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(1-adamantylmethylamino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(1-adamantylmethylamino)-2-keto-ethyl] ester O2-ethyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H32N2O5/c1-4-29-22(28)20-13(2)19(14(3)25-20)21(27)30-11-18(26)24-12-23-8-15-5-16(9-23)7-17(6-15)10-23/h15-17,25H,4-12H2,1-3H3,(H,24,26)