[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H32N2O3/c1-4-24-14(2)5-19(15(24)3)21(26)27-12-20(25)23-13-22-9-16-6-17(10-22)8-18(7-16)11-22/h5,16-18H,4,6-13H2,1-3H3,(H,23,25)