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

Systemtic Name: ethyl 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C27H30BrN3O4 MolecularWeight: 540.4488

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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)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=C(C(=N3)C)Br)C)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H30BrN3O4/c1-6-34-27(33)25-18(4)31(20-9-7-16(2)8-10-20)24-12-11-22(13-23(24)25)35-15-21(32)14-30-19(5)26(28)17(3)29-30/h7-13,21,32H,6,14-15H2,1-5H3