[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

HCID 2653728

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Basic information

CAS: 5710-51-0
Standard SMILES: COCCn1c(C)cc(C(=O)COC(=O)c2cc3ccccc3cc2O)c1C
InChIKey: YWDGVSGNOTVDNI-UHFFFAOYSA-N
Molecular formula: C22H23NO5
Average molar mass: 381.4 g/mol
Monoisotopic mass: 381.15762283

Names & identifiers

Preferred name: [2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
IUPAC: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

Names & synonyms

[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate5710-51-0DTXSID40369002AKOS033702093Z197127962-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-hydroxynaphthalene-2-carboxylate

Database identifiers

CAS: 5710-51-0
PubChem CID: 2653728
DTXSID: DTXSID40369002

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 553

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