[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(3-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(3-fluorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[(3-fluorobenzoyl)amino]acetate CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate Traditional Name: 2-[(3-fluorobenzoyl)amino]acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26FN3O5 MolecularWeight: 431.457343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CNC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H26FN3O5/c23-17-3-1-2-16(7-17)20(29)24-11-19(28)31-12-18(27)25-21(30)26-22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,13-15H,4-6,8-12H2,(H,24,29)(H2,25,26,27,30)