2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[2,9-dimethyl-9-[[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]decan-2-yl]ethanamide

Systemtic Name: 2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[2,9-dimethyl-9-[[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]decan-2-yl]ethanamide Openeye Name: 2-[4-[(E)-2-[(5Z)-5-[[1-difluoroboranyl-5-(2-thienyl)pyrrol-2-yl]methylene]pyrrol-2-yl]vinyl]phenoxy]-N-[8-[[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]amino]-1,1,8-trimethyl-nonyl]acetamide CAS Name: 2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-yl-2-pyrrolyl)methylidene]-2-pyrrolyl]ethenyl]phenoxy]-N-[9-[[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]-2,9-dimethyldecan-2-yl]acetamide IUPAC Name: 2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-ylpyrrol-2-yl)methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[9-[[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]amino]-2,9-dimethyldecan-2-yl]acetamide Traditional Name: 2-[4-[(E)-2-[(5Z)-5-[[1-difluoroboranyl-5-(2-thienyl)pyrrol-2-yl]methylene]pyrrol-2-yl]vinyl]phenoxy]-N-[8-[[(2S)-2-hydroxy-3-(1-naphthoxy)propyl]amino]-1,1,8-trimethyl-nonyl]acetamide Formula: C48H55BF2N4O4S MolecularWeight: 832.847506

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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC=C1C2=CC=CS2)C=C3C=CC(=N3)C=CC4=CC=C(C=C4)OCC(=O)NC(C)(C)CCCCCCC(C)(C)NCC(COC5=CC=CC6=CC=CC=C65)O)(F)F

Isomeric SMILES

B(N1C(=CC=C1C2=CC=CS2)/C=C\3/C=CC(=N3)/C=C/C4=CC=C(C=C4)OCC(=O)NC(C)(C)CCCCCCC(C)(C)NC[C@@H](COC5=CC=CC6=CC=CC=C65)O)(F)F

InChI

InChI=1S/C48H55BF2N4O4S/c1-47(2,52-32-40(56)33-59-44-16-11-14-36-13-7-8-15-42(36)44)28-9-5-6-10-29-48(3,4)54-46(57)34-58-41-25-19-35(20-26-41)18-21-37-22-23-38(53-37)31-39-24-27-43(55(39)49(50)51)45-17-12-30-60-45/h7-8,11-27,30-31,40,52,56H,5-6,9-10,28-29,32-34H2,1-4H3,(H,54,57)/b21-18+,38-31-/t40-/m0/s1