Ethyl 1-ethyl-5-benzoyloxindole-3-carboxylate

HCID 20189466

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C1C(=O)N(CC)c2ccc(C(=O)c3ccccc3)cc21
InChIKey: PUTJHLRSPNLLBD-UHFFFAOYSA-N
Molecular formula: C20H19NO4
Average molar mass: 337.4 g/mol

Names & identifiers

Preferred name: Ethyl 1-ethyl-5-benzoyloxindole-3-carboxylate
IUPAC: ethyl 5-benzoyl-1-ethyl-2-oxo-3H-indole-3-carboxylate

Names & synonyms

SCHEMBL7236050PUTJHLRSPNLLBD-UHFFFAOYSA-Nethyl 1-ethyl-5-benzoyloxindole-3-carboxylate5-benzoyl-1-ethyl-2-oxo-2,3-dihydro-1H-indole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID: 20189466

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 63.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 526

Related reactions

7 records

New reaction record

HRID 212067As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 236365As productuspto-grants-1987_02

HRID 610067As reactantuspto-grants-1999_12

HRID 610068As reactantuspto-grants-1999_12

HRID 1209615As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1566313As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1788954As productuspto-grants-1987_08

Compound notes

Loading…