[1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosakis(fluoranyl)-2-(trifluoromethyl)decan-2-yl] N-[4-[(3-methyl-4-oxidanyl-naphthalen-1-yl)carbamoylamino]butyl]carbamate

Systemtic Name: [1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosakis(fluoranyl)-2-(trifluoromethyl)decan-2-yl] N-[4-[(3-methyl-4-oxidanyl-naphthalen-1-yl)carbamoylamino]butyl]carbamate Openeye Name: [2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1,1-bis(trifluoromethyl)nonyl] N-[4-[(4-hydroxy-3-methyl-1-naphthyl)carbamoylamino]butyl]carbamate CAS Name: N-[4-[[[(4-hydroxy-3-methyl-1-naphthalenyl)amino]-oxomethyl]amino]butyl]carbamic acid [1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-eicosafluoro-2-(trifluoromethyl)decan-2-yl] ester IUPAC Name: [1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-yl] N-[4-[(4-hydroxy-3-methylnaphthalen-1-yl)carbamoylamino]butyl]carbamate Traditional Name: N-[4-[(4-hydroxy-3-methyl-1-naphthyl)carbamoylamino]butyl]carbamic acid [2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1,1-bis(trifluoromethyl)nonyl] ester Formula: C28H20F23N3O4 MolecularWeight: 899.439374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)NC(=O)NCCCCNC(=O)OC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)NC(=O)NCCCCNC(=O)OC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C28H20F23N3O4/c1-11-10-14(12-6-2-3-7-13(12)15(11)55)54-16(56)52-8-4-5-9-53-17(57)58-18(26(43,44)45,27(46,47)48)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)25(41,42)28(49,50)51/h2-3,6-7,10,55H,4-5,8-9H2,1H3,(H,53,57)(H2,52,54,56)