[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C=CC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O4/c23-18-3-1-2-14(9-18)4-5-20(27)29-13-19(26)24-21(28)25-22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,9,15-17H,6-8,10-13H2,(H2,24,25,26,28)/b5-4+