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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4/c1-5-33-27(32)26-20(4)29(15-21-9-7-6-8-10-21)25-12-11-23(14-24(25)26)34-17-22(31)16-30-19(3)13-18(2)28-30/h6-14,22,31H,5,15-17H2,1-4H3