CHEBI:101568 - 1-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI Name 1-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea ChEBI ID CHEBI:101568 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H30F3N3O5 Net Charge 0 Average Mass 581.583 Monoisotopic Mass 581.21376 InChI InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27+,29-/m0/s1 InChIKey HHNPVBFCYHNCMG-ZVFGGPEJSA-N SMILES C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F ChEBI Ontology Outgoing 1-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:101568) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-12931 LINCS View more database links