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(Q126677929)
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English
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-
group of stereoisomers
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
349.13140808799994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₉NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=C(C2=C(N1C(=O)C=CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O
1 reference
matched by identifier from
InChIKey
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
stated in
PubChem
PubChem CID
29978
retrieved
13 June 2024
Identifiers
InChI
InChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)
1 reference
matched by identifier from
InChIKey
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
stated in
PubChem
PubChem CID
29978
retrieved
13 June 2024
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
1 reference
matched by identifier from
InChIKey
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
stated in
PubChem
PubChem CID
29978
retrieved
13 June 2024
PubChem CID
29978
1 reference
matched by identifier from
InChIKey
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
stated in
PubChem
PubChem CID
29978
retrieved
13 June 2024
SureChEMBL ID
SCHEMBL25139
1 reference
matched by identifier from
InChIKey
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
DSSTox substance ID
DTXSID70878556
1 reference
matched by identifier from
InChIKey
InChIKey
NKPPORKKCMYYTO-UHFFFAOYSA-N
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