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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-25-16-4-3-5-17(26-2)19(16)20(24)27-12-18(23)22-21-9-13-6-14(10-21)8-15(7-13)11-21/h3-5,13-15H,6-12H2,1-2H3,(H,22,23)