[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5/c1-26-17-4-3-5-18(27-2)20(17)21(25)28-12-19(24)23-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,14-16H,6-13H2,1-2H3,(H,23,24)