4-[(2S)-3-[1-(diphenylmethyl)azetidin-3-yl]oxy-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile hydrate

Systemtic Name: 4-[(2S)-3-[1-(diphenylmethyl)azetidin-3-yl]oxy-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile hydrate Openeye Name: 4-[(2S)-3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxy-propoxy]-1H-indole-2-carbonitrile hydrate CAS Name: 4-[(2S)-3-[[1-(diphenylmethyl)-3-azetidinyl]oxy]-2-hydroxypropoxy]-1H-indole-2-carbonitrile hydrate IUPAC Name: 4-[(2S)-3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxypropoxy]-1H-indole-2-carbonitrile hydrate Traditional Name: 4-[(2S)-3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxy-propoxy]-1H-indole-2-carbonitrile hydrate Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OCC(COC4=CC=CC5=C4C=C(N5)C#N)O.O

Isomeric SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC[C@@H](COC4=CC=CC5=C4C=C(N5)C#N)O.O

InChI

InChI=1S/C28H27N3O3.H2O/c29-15-22-14-25-26(30-22)12-7-13-27(25)34-19-23(32)18-33-24-16-31(17-24)28(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-14,23-24,28,30,32H,16-19H2;1H2/t23-;/m0./s1