(1R,3S)-2-Methyl-6-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethoxy}benzoic acid

HCID 59820060
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc(-c2nc(CO[C@H]3CCC[C@@H](OCCOc4cccc(C)c4C(=O)O)C3)c(C)o2)c1
InChIKey
SCPWMZLGEPUJPD-PKTZIBPZSA-N
Molecular formula
C28H33NO6
Average molar mass
479.6 g/mol
Monoisotopic mass
479.23078777

Names & identifiers

Preferred name
(1R,3S)-2-Methyl-6-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethoxy}benzoic acid
IUPAC
2-methyl-6-[2-[(1R,3S)-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethoxy]benzoic acid

Names & synonyms

SCHEMBL2575680SCPWMZLGEPUJPD-PKTZIBPZSA-N(1R,3S)-2-Methyl-6-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethoxy}benzoic acid

Database identifiers

PubChem CID
59820060

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
91 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
35

Related reactions

1 records
New reaction record

Linked notes

Loading…