[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C23H31NO6/c1-27-18-8-20(29-3)19(28-2)7-17(18)22(26)30-12-21(25)24-13-23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,24,25)