[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O7/c1-30-18-7-14(8-19(31-2)22(18)32-3)9-21(28)33-13-20(27)25-23(29)26-24-10-15-4-16(11-24)6-17(5-15)12-24/h7-8,15-17H,4-6,9-13H2,1-3H3,(H2,25,26,27,29)