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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C24H33NO3/c1-13-14(2)16(4)22(17(5)15(13)3)23(27)28-12-21(26)25-24-9-18-6-19(10-24)8-20(7-18)11-24/h18-20H,6-12H2,1-5H3,(H,25,26)