(S)-3-(1-methyl-1H-imidazol-5-yl)-3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy)phenyl)propanoic acid

HCID 24967390
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Basic information

Standard SMILES
Cn1cncc1[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIKey
NPLOEIOBTCSNLE-QFIPXVFZSA-N
Molecular formula
C28H34N2O3
Average molar mass
446.6 g/mol

Names & identifiers

Preferred name
(S)-3-(1-methyl-1H-imidazol-5-yl)-3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy)phenyl)propanoic acid
IUPAC
(3S)-3-(3-methylimidazol-4-yl)-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL3547498NPLOEIOBTCSNLE-QFIPXVFZSA-N(S)-3-(1-methyl-1H-imidazol-5-yl)-3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy)phenyl)propanoic acid

Database identifiers

PubChem CID
24967390

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
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Compound notes

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