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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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