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2-{1-[3-Carboxymethyl-1H-2-indolyl(4-methoxyphenyl)methyl]-1H-3-indolyl}acetic acid
SpectraBase Compound ID B5IZ5njyfXG
InChI InChI=1S/C28H24N2O5/c1-35-19-12-10-17(11-13-19)28(27-22(15-26(33)34)21-7-2-4-8-23(21)29-27)30-16-18(14-25(31)32)20-6-3-5-9-24(20)30/h2-13,16,28-29H,14-15H2,1H3,(H,31,32)(H,33,34)
InChIKey NAJCBVAHNSFCKS-UHFFFAOYSA-N
Mol Weight 468.51 g/mol
Molecular Formula C28H24N2O5
Exact Mass 468.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdOpeP6pspW
Name 2-{1-[3-Carboxymethyl-1H-2-indolyl(4-methoxyphenyl)methyl]-1H-3-indolyl}acetic acid
Alternate Name(s) {1-[[3-(carboxymethyl)-1H-indol-2-yl](4-methoxyphenyl)methyl]-1H-indol-3-yl}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O5
InChI InChI=1S/C28H24N2O5/c1-35-19-12-10-17(11-13-19)28(27-22(15-26(33)34)21-7-2-4-8-23(21)29-27)30-16-18(14-25(31)32)20-6-3-5-9-24(20)30/h2-13,16,28-29H,14-15H2,1H3,(H,31,32)(H,33,34)
InChIKey NAJCBVAHNSFCKS-UHFFFAOYSA-N
Molecular Weight 468.509 g/mol
SMILES OC(Cc1c[n](C(c2c(CC(=O)O)c3ccccc3[nH]2)c2ccc(cc2)OC)c2c1cccc2)=O
SPLASH splash10-03fr-0509100000-b99f99cf69a3fd49fd6e
Source of Spectrum Y1-45-7731-14
Wiley ID 1622216