[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H32N2O3/c1-17-3-4-18(2)28(17)23-7-5-22(6-8-23)25(30)31-15-24(29)27-16-26-12-19-9-20(13-26)11-21(10-19)14-26/h3-8,19-21H,9-16H2,1-2H3,(H,27,29)