[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-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=C(C(=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C22H29NO6/c1-26-17-5-4-16(19(27-2)20(17)28-3)21(25)29-12-18(24)23-22-9-13-6-14(10-22)8-15(7-13)11-22/h4-5,13-15H,6-12H2,1-3H3,(H,23,24)