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

Systemtic Name: ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4/c1-6-33-27(32)26-20(5)30(21-9-7-17(2)8-10-21)25-12-11-23(14-24(25)26)34-16-22(31)15-29-19(4)13-18(3)28-29/h7-14,22,31H,6,15-16H2,1-5H3