2-[4-[(2R)-3-[tert-butyl-(phenylmethyl)azaniumyl]-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate

Systemtic Name: 2-[4-[(2R)-3-[tert-butyl-(phenylmethyl)azaniumyl]-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate Openeye Name: 2-[4-[(2R)-3-[benzyl(tert-butyl)ammonio]-2-hydroxy-propoxy]-1H-indol-3-yl]acetate CAS Name: 2-[4-[(2R)-3-[tert-butyl-(phenylmethyl)ammonio]-2-hydroxypropoxy]-1H-indol-3-yl]acetate IUPAC Name: 2-[4-[(2R)-3-[benzyl(tert-butyl)azaniumyl]-2-hydroxypropoxy]-1H-indol-3-yl]acetate Traditional Name: 2-[4-[(2R)-3-[benzyl(tert-butyl)ammonio]-2-hydroxy-propoxy]-1H-indol-3-yl]acetate Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=CC=C1)CC(COC2=CC=CC3=C2C(=CN3)CC(=O)[O-])O

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=CC=C1)C[C@H](COC2=CC=CC3=C2C(=CN3)CC(=O)[O-])O

InChI

InChI=1S/C24H30N2O4/c1-24(2,3)26(14-17-8-5-4-6-9-17)15-19(27)16-30-21-11-7-10-20-23(21)18(13-25-20)12-22(28)29/h4-11,13,19,25,27H,12,14-16H2,1-3H3,(H,28,29)/t19-/m1/s1