[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO4/c1-15(2)20-8-21(16(3)4)24(29)22(9-20)25(30)31-13-23(28)27-14-26-10-17-5-18(11-26)7-19(6-17)12-26/h8-9,15-19,29H,5-7,10-14H2,1-4H3,(H,27,28)