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Benzenepropanoic acid, 2-chloro-.beta.-[[1-oxo-3-[1-(phenylmethyl)-1H-indol-3-yl]propyl]amino]-, ethyl ester
SpectraBase Compound ID 4kSwjGLwYQ8
InChI InChI=1S/C29H29ClN2O3/c1-2-35-29(34)18-26(24-13-6-8-14-25(24)30)31-28(33)17-16-22-20-32(19-21-10-4-3-5-11-21)27-15-9-7-12-23(22)27/h3-15,20,26H,2,16-19H2,1H3,(H,31,33)
InChIKey WFPBREHCBLQOGG-UHFFFAOYSA-N
Mol Weight 489.02 g/mol
Molecular Formula C29H29ClN2O3
Exact Mass 488.18667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41Mg2ZgqEQG
Name Benzenepropanoic acid, 2-chloro-.beta.-[[1-oxo-3-[1-(phenylmethyl)-1H-indol-3-yl]propyl]amino]-, ethyl ester
Alternate Name(s) 3-(2-Chlorophenyl)-3-[[1-oxo-3-[1-(phenylmethyl)-3-indolyl]propyl]amino]propanoic acid ethyl ester Ethyl 3-[3-(1-benzylindol-3-yl)propanoylamino]-3-(2-chlorophenyl)propanoate Ethyl 3-(2-chlorophenyl)-3-[3-[1-(phenylmethyl)indol-3-yl]propanoylamino]propanoate
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Formula C29H29ClN2O3
InChI InChI=1S/C29H29ClN2O3/c1-2-35-29(34)18-26(24-13-6-8-14-25(24)30)31-28(33)17-16-22-20-32(19-21-10-4-3-5-11-21)27-15-9-7-12-23(22)27/h3-15,20,26H,2,16-19H2,1H3,(H,31,33)
InChIKey WFPBREHCBLQOGG-UHFFFAOYSA-N
Molecular Weight 489.015 g/mol
SMILES N(C(CC(=O)OCC)c1c(Cl)cccc1)C(CCc1c[n](c2c1cccc2)Cc1ccccc1)=O
SPLASH splash10-00dl-6490000000-df329853ff76c78d667e
Source of Spectrum IY-1-4630-4
Wiley ID 1654287