methyl indole-3-propanoate (Q27286720)

Methyl 3-(1H-indol-3-yl)propanoate (English)

14 October 2016

chemical formula

C₁₂H₁₃NO₂

1 reference

Methyl 3-(1H-indol-3-yl)propanoate (English)

14 October 2016

canonical SMILES

COC(=O)CCC1=CNC2=CC=CC=C21

1 reference

Methyl 3-(1H-indol-3-yl)propanoate (English)

InChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3

14 October 2016

Identifiers

InChI

1 reference

Methyl 3-(1H-indol-3-yl)propanoate (English)

BAYIDMGOQRXHBC-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Methyl 3-(1H-indol-3-yl)propanoate (English)

14 October 2016

2 references

UNII

PR3BRO222F

methyl indole-3-propanoate (English)

BAYIDMGOQRXHBC-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=5548-09-4

1 reference

Methyl 3-(1H-indol-3-yl)propanoate (English)

14 October 2016

1 reference

Methyl 3-(1H-indol-3-yl)propanoate (English)

14 October 2016

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP002640

METHYL 3-(3-INDOLYLMETHYL)PROPANOATE (English)

14 October 2016

1 reference

MassBank accession ID

0 references

SPLASH

splash10-001i-1910000000-bf9da59907b5908134d8

0 references

DSSTox substance ID

DTXSID50204056

1 reference

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID50126547

0 references

NSC number

56004

0 references

Human Metabolome Database ID

HMDB0240623

1 reference

based on heuristic

inferred from InChIKey

UNII

PR3BRO222F

1 reference

stated in

Global Substance Registration System

UNII

PR3BRO222F

methyl indole-3-propanoate (English)