ethyl 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C21H26BrN3O4 MolecularWeight: 464.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=C(C(=N3)C)Br)C)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=C(C(=N3)C)Br)C)O)C)C

InChI

InChI=1S/C21H26BrN3O4/c1-6-28-21(27)19-13(3)24(5)18-8-7-16(9-17(18)19)29-11-15(26)10-25-14(4)20(22)12(2)23-25/h7-9,15,26H,6,10-11H2,1-5H3