[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3/c1-14-15(2)17(4)23(18(5)16(14)3)24(28)29-12-22(27)26-13-25-9-19-6-20(10-25)8-21(7-19)11-25/h19-21H,6-13H2,1-5H3,(H,26,27)