[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H30N2O6/c1-13-18(29-2)7-17(8-19(13)30-3)21(27)31-12-20(26)24-22(28)25-23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,4-6,9-12H2,1-3H3,(H2,24,25,26,28)