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

Systemtic Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[(1S)-1-phenylethyl]urea; 2,2,2-trifluoroacetic acid Formula: C28H36F3N3O5 MolecularWeight: 551.59775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NC2CCC3(CCN(C3C2)C)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)N[C@@H]2CC[C@]3(CCN([C@H]3C2)C)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H35N3O3.C2HF3O2/c1-18(19-8-6-5-7-9-19)27-25(30)28-21-12-13-26(14-15-29(2)24(26)17-21)20-10-11-22(31-3)23(16-20)32-4;3-2(4,5)1(6)7/h5-11,16,18,21,24H,12-15,17H2,1-4H3,(H2,27,28,30);(H,6,7)/t18-,21+,24-,26-;/m0./s1