[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O4/c23-18-4-1-14(2-5-18)3-6-20(27)29-13-19(26)24-21(28)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-13H2,(H2,24,25,26,28)/b6-3+