(2S,3S)-1-(1H-indol-3-yl)-4-(4-phenylmethoxyphenyl)butane-2,3-diol

Systemtic Name: (2S,3S)-1-(1H-indol-3-yl)-4-(4-phenylmethoxyphenyl)butane-2,3-diol Openeye Name: (2S,3S)-1-(4-benzyloxyphenyl)-4-(1H-indol-3-yl)butane-2,3-diol CAS Name: (2S,3S)-1-(1H-indol-3-yl)-4-(4-phenylmethoxyphenyl)butane-2,3-diol IUPAC Name: (2S,3S)-1-(1H-indol-3-yl)-4-(4-phenylmethoxyphenyl)butane-2,3-diol Traditional Name: (2S,3S)-1-(4-benzoxyphenyl)-4-(1H-indol-3-yl)butane-2,3-diol Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(CC3=CNC4=CC=CC=C43)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H]([C@H](CC3=CNC4=CC=CC=C43)O)O

InChI

InChI=1S/C25H25NO3/c27-24(25(28)15-20-16-26-23-9-5-4-8-22(20)23)14-18-10-12-21(13-11-18)29-17-19-6-2-1-3-7-19/h1-13,16,24-28H,14-15,17H2/t24-,25-/m0/s1