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4'-Methyl-5-(2-oxo-2,3-dihydro-indol-1-yl)-biphenyl-3-carboxylic acid methyl ester

HCID 59627745
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Basic information

Standard SMILES
COC(=O)c1cc(-c2ccc(C)cc2)cc(N2C(=O)Cc3ccccc32)c1
InChIKey
KQWCIPVXDTYWPZ-UHFFFAOYSA-N
Molecular formula
C23H19NO3
Average molar mass
357.4 g/mol

Names & identifiers

Preferred name
4'-Methyl-5-(2-oxo-2,3-dihydro-indol-1-yl)-biphenyl-3-carboxylic acid methyl ester
IUPAC
methyl 3-(4-methylphenyl)-5-(2-oxo-3H-indol-1-yl)benzoate

Names & synonyms

SCHEMBL311473KQWCIPVXDTYWPZ-UHFFFAOYSA-N4'-methyl-5-(2-oxo-2,3-dihydro-indol-1-yl)-biphenyl-3-carboxylic acid methyl ester

Database identifiers

PubChem CID
59627745

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
554

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Related reactions

5 records
New reaction record
HRID 418395 reaction equation
HRID 418395As productuspto-grants-2012_01
HRID 418396 reaction equation
HRID 418396As reactantuspto-grants-2012_01
HRID 1151909 reaction equation
HRID 1151909As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2406897 reaction equation
HRID 2406897As productuspto-grants-2014_08
HRID 2406898 reaction equation
HRID 2406898As reactantuspto-grants-2014_08

Compound notes

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