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(4S)-3-[(2S)-3-(4-ethoxyphenyl)-2-isopropoxypropanoyl]-4-benzyl-1,3-oxazolan-2-one

HCID 57719764
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOc1ccc(C[C@H](OC(C)C)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIKey
RVVMTTPPSKGOGR-UNMCSNQZSA-N
Molecular formula
C24H29NO5
Average molar mass
411.5 g/mol

Names & identifiers

Preferred name
(4S)-3-[(2S)-3-(4-ethoxyphenyl)-2-isopropoxypropanoyl]-4-benzyl-1,3-oxazolan-2-one
IUPAC
(4S)-4-benzyl-3-[(2S)-3-(4-ethoxyphenyl)-2-propan-2-yloxypropanoyl]-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL4329710RVVMTTPPSKGOGR-UNMCSNQZSA-N(4S)-3-[(2S)-3-(4-ethoxyphenyl)-2-isopropoxypropanoyl]-4-benzyl-1,3-oxazolan 2-one(4S)-3-[(2S)-3-(4-ethoxyphenyl)-2-isopropoxypropanoyl]-4-benzyl-1,3-oxazolan-2-one

Database identifiers

PubChem CID
57719764

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
65.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
30
Formal charge
0
Complexity
552

Related reactions

1 records
New reaction record
HRID 1985432 reaction equation
HRID 1985432As productuspto-grants-2009_06

Compound notes

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