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2-Ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]prop-2-enoic acid

HCID 69736667
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC)oc2C)c1)C(=O)O
InChIKey
UWKBBBCPQVPHKG-UHFFFAOYSA-N
Molecular formula
C25H24N2O5
Average molar mass
432.5 g/mol

Names & identifiers

Preferred name
2-Ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]prop-2-enoic acid
IUPAC
2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]prop-2-enoic acid

Names & synonyms

SCHEMBL6305609

Database identifiers

PubChem CID
69736667

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
86.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
671

Related reactions

1 records
New reaction record
HRID 154857 reaction equation
HRID 154857As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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