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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C22H29NO6/c1-26-17-8-19(28-3)18(27-2)7-16(17)21(25)29-12-20(24)23-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,23,24)