[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H27FN2O5 MolecularWeight: 418.458583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O5/c1-29-18-3-2-13(7-17(18)23)8-20(27)30-12-19(26)24-21(28)25-22-9-14-4-15(10-22)6-16(5-14)11-22/h2-3,7,14-16H,4-6,8-12H2,1H3,(H2,24,25,26,28)