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

Systemtic Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[3,4-bis(fluoranyl)phenyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[3a-(3,4-dimethoxyphenyl)-1-isopentyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[3a-(3,4-dimethoxyphenyl)-1-isoamyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea; 2,2,2-trifluoroacetic acid Formula: C30H38F5N3O5 MolecularWeight: 615.631836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC2(C1CC(CC2)NC(=O)NC3=CC(=C(C=C3)F)F)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)CCN1CCC2(C1CC(CC2)NC(=O)NC3=CC(=C(C=C3)F)F)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H37F2N3O3.C2HF3O2/c1-18(2)10-13-33-14-12-28(19-5-8-24(35-3)25(15-19)36-4)11-9-21(17-26(28)33)32-27(34)31-20-6-7-22(29)23(30)16-20;3-2(4,5)1(6)7/h5-8,15-16,18,21,26H,9-14,17H2,1-4H3,(H2,31,32,34);(H,6,7)