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2-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
SpectraBase Compound ID 6SuvkpfZnT4
InChI InChI=1S/C26H25N3O2/c1-26(2)14-21-18-8-4-3-7-16(18)11-12-20(21)24(29-26)28-23(25(30)31)13-17-15-27-22-10-6-5-9-19(17)22/h3-12,15,23,27H,13-14H2,1-2H3,(H,28,29)(H,30,31)
InChIKey OVPAWNHGQLHHAC-UHFFFAOYSA-N
Mol Weight 411.51 g/mol
Molecular Formula C26H25N3O2
Exact Mass 411.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pK7vJsuM2o
Name 2-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
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Formula C26H25N3O2
InChI InChI=1S/C26H25N3O2/c1-26(2)14-21-18-8-4-3-7-16(18)11-12-20(21)24(29-26)28-23(25(30)31)13-17-15-27-22-10-6-5-9-19(17)22/h3-12,15,23,27H,13-14H2,1-2H3,(H,28,29)(H,30,31)
InChIKey OVPAWNHGQLHHAC-UHFFFAOYSA-N
Molecular Weight 411.505 g/mol
SMILES N(C1=NC(C)(C)Cc2c1ccc1ccccc21)C(Cc1c[nH]c2c1cccc2)C(=O)O
SPLASH splash10-001i-1940000000-fdb9cb22441aed4fe3a3
Synonyms 2-[(2,2-dimethyl-1H-benz[f]isoquinolin-4-yl)amino]-3-(1H-indol-3-yl)propionic acid
Wiley ID 1454767