Methyl 2-(benzoyloxy)-4-[(2-hydroxyethyl)amino]benzoate

HCID 249094

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6964-98-3
Standard SMILES: COC(=O)c1ccc(NCCO)cc1OC(=O)c1ccccc1
InChIKey: YHJJIAQYEMRVHX-UHFFFAOYSA-N
Molecular formula: C17H17NO5
Average molar mass: 315.32 g/mol
Monoisotopic mass: 315.11067264

Names & identifiers

Preferred name: Methyl 2-(benzoyloxy)-4-[(2-hydroxyethyl)amino]benzoate
IUPAC: methyl 2-benzoyloxy-4-(2-hydroxyethylamino)benzoate

Names & synonyms

6964-98-3methyl 2-(benzoyloxy)-4-[(2-hydroxyethyl)amino]benzoateNSC67056Benzoic acid,2-(benzoyloxy)-4-[(2-hydroxyethyl)amino]-, methyl esterDTXSID90290150NSC-67056DS-010387

Database identifiers

CAS: 6964-98-3
PubChem CID: 249094
DTXSID: DTXSID90290150

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 394

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…