1-adamantylmethyl N-[[(E)-3-(2-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]carbamate

Systemtic Name: 1-adamantylmethyl N-[[(E)-3-(2-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]carbamate Openeye Name: 1-adamantylmethyl N-[[(E)-3-(2-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]carbamate CAS Name: N-[[(E)-3-(2-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]carbamic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl N-[[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoyl]amino]carbamate Traditional Name: N-[[(E)-3-(2-chloro-4-fluoro-phenyl)acryloyl]amino]carbamic acid 1-adamantylmethyl ester Formula: C21H24ClFN2O3 MolecularWeight: 406.878263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)NNC(=O)C=CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)NNC(=O)/C=C/C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H24ClFN2O3/c22-18-8-17(23)3-1-16(18)2-4-19(26)24-25-20(27)28-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,24,26)(H,25,27)/b4-2+