(phenylmethyl) N-[3-(3-fluoranyl-4-isocyano-phenyl)propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(3-fluoranyl-4-isocyano-phenyl)propyl]carbamate Openeye Name: benzyl N-[3-(3-fluoro-4-isocyano-phenyl)propyl]carbamate CAS Name: N-[3-(3-fluoro-4-isocyanophenyl)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(3-fluoro-4-isocyanophenyl)propyl]carbamate Traditional Name: N-[3-(3-fluoro-4-isocyano-phenyl)propyl]carbamic acid benzyl ester Formula: C18H17FN2O2 MolecularWeight: 312.338183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=C(C=C1)CCCNC(=O)OCC2=CC=CC=C2)F

Isomeric SMILES

[C-]#[N+]C1=C(C=C(C=C1)CCCNC(=O)OCC2=CC=CC=C2)F

InChI

InChI=1S/C18H17FN2O2/c1-20-17-10-9-14(12-16(17)19)8-5-11-21-18(22)23-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,(H,21,22)