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

Systemtic Name: sodium 2-[4-[3-[tert-butyl-(phenylmethyl)amino]-2-oxidanyl-propoxy]-1H-indol-3-yl]ethanoate Openeye Name: sodium 2-[4-[3-[benzyl(tert-butyl)amino]-2-hydroxy-propoxy]-1H-indol-3-yl]acetate CAS Name: sodium 2-[4-[3-[tert-butyl-(phenylmethyl)amino]-2-hydroxypropoxy]-1H-indol-3-yl]acetate IUPAC Name: sodium 2-[4-[3-[benzyl(tert-butyl)amino]-2-hydroxypropoxy]-1H-indol-3-yl]acetate Traditional Name: sodium 2-[4-[3-[benzyl(tert-butyl)amino]-2-hydroxy-propoxy]-1H-indol-3-yl]acetate Formula: C24H29N2NaO4 MolecularWeight: 432.48783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4.Na/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);/q;+1/p-1