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

Systemtic Name: ethyl 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-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)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=C(C(=N3)C)Br)C)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H30BrN3O4/c1-5-34-27(33)25-18(3)30(14-20-9-7-6-8-10-20)24-12-11-22(13-23(24)25)35-16-21(32)15-31-19(4)26(28)17(2)29-31/h6-13,21,32H,5,14-16H2,1-4H3