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

Systemtic Name: ethyl 5-[(2S)-3-(4,5-diphenylimidazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[(2S)-3-(4,5-diphenylimidazol-1-yl)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[(2S)-3-(4,5-diphenyl-1-imidazolyl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[(2S)-3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[(2S)-3-(4,5-diphenylimidazol-1-yl)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C37H35N3O4 MolecularWeight: 585.6915

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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)CC6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CN3C=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)O)CC6=CC=CC=C6)C

InChI

InChI=1S/C37H35N3O4/c1-3-43-37(42)34-26(2)40(22-27-13-7-4-8-14-27)33-20-19-31(21-32(33)34)44-24-30(41)23-39-25-38-35(28-15-9-5-10-16-28)36(39)29-17-11-6-12-18-29/h4-21,25,30,41H,3,22-24H2,1-2H3/t30-/m0/s1