1-[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,5-dimethylisoxazol-4-yl)urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,5-dimethylisoxazol-4-yl)urea; 2,2,2-trifluoroacetic acid Formula: C25H33F3N4O6 MolecularWeight: 542.54793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)NC2CCC3(CCN(C3C2)C)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)NC2CCC3(CCN(C3C2)C)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H32N4O4.C2HF3O2/c1-14-21(15(2)31-26-14)25-22(28)24-17-8-9-23(10-11-27(3)20(23)13-17)16-6-7-18(29-4)19(12-16)30-5;3-2(4,5)1(6)7/h6-7,12,17,20H,8-11,13H2,1-5H3,(H2,24,25,28);(H,6,7)