ethyl 5-[3-(4,5-diphenylimidazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[3-(4,5-diphenylimidazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[3-(4,5-diphenyl-1-imidazolyl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)O)C)C

InChI

InChI=1S/C31H31N3O4/c1-4-37-31(36)28-21(2)33(3)27-16-15-25(17-26(27)28)38-19-24(35)18-34-20-32-29(22-11-7-5-8-12-22)30(34)23-13-9-6-10-14-23/h5-17,20,24,35H,4,18-19H2,1-3H3