(phenylmethyl) N-[(2S)-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecakis(fluoranyl)-3-oxidanylidene-1-phenyl-undecan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecakis(fluoranyl)-3-oxidanylidene-1-phenyl-undecan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-oxo-decyl]carbamate CAS Name: N-[(2S)-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-oxo-1-phenylundecan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-oxo-1-phenylundecan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-keto-decyl]carbamic acid benzyl ester Formula: C25H20F13NO3 MolecularWeight: 629.410442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H20F13NO3/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)12-11-18(40)17(13-15-7-3-1-4-8-15)39-19(41)42-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,39,41)/t17-/m0/s1