2-carboxy-phenylacetic acid N-butyl-N-(2'-cyanobiphenyl-4-ylmethyl)-amide

HCID 53942425
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Basic information

Standard SMILES
CCCCN(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)Cc1ccccc1C(=O)O
InChIKey
IYTUBPWWNVUQJN-UHFFFAOYSA-N
Molecular formula
C27H26N2O3
Average molar mass
426.5 g/mol

Names & identifiers

Preferred name
2-carboxy-phenylacetic acid N-butyl-N-(2'-cyanobiphenyl-4-ylmethyl)-amide
IUPAC
2-[2-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid

Names & synonyms

SCHEMBL9429603IYTUBPWWNVUQJN-UHFFFAOYSA-N2-carboxy-phenylacetic acid N-butyl-N-(2'-cyanobiphenyl-4-ylmethyl)-amide

Database identifiers

PubChem CID
53942425

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
81.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
New reaction record

Linked notes

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