[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chloro-6-fluoro-phenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H23ClFNO3 MolecularWeight: 391.863623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C=CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)/C=C/C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H23ClFNO3/c22-17-2-1-3-18(23)16(17)4-5-20(26)27-12-19(25)24-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25)/b5-4+