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

Systemtic Name: ethyl 5-[(2S)-3-imidazol-1-yl-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-imidazol-1-yl-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(1-imidazolyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-imidazol-1-yl-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C=CN=C3)O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CN3C=CN=C3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C25H27N3O4/c1-4-31-25(30)24-18(3)28(19-7-5-17(2)6-8-19)23-10-9-21(13-22(23)24)32-15-20(29)14-27-12-11-26-16-27/h5-13,16,20,29H,4,14-15H2,1-3H3/t20-/m0/s1