1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (benzoyloxy)methyl ester

HCID 44151

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Basic information

CAS: 62751-72-8
Standard SMILES: COc1ccc2c(c1)c(CC(=O)OCOC(=O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIKey: SPOHBRIBTFAVAK-UHFFFAOYSA-N
Molecular formula: C27H22ClNO6
Average molar mass: 491.9 g/mol
Monoisotopic mass: 491.1135651

Names & identifiers

Preferred name: 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (benzoyloxy)methyl ester
IUPAC: [2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxymethyl benzoate

Names & synonyms

IMB-11H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (benzoyloxy)methyl ester62751-72-8DTXSID30211824(Benzoyloxy)methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetateRefChem:239026DTXCID60134315SCHEMBL29416586({[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)methyl benzoate

Database identifiers

CAS: 62751-72-8
PubChem CID: 44151
DTXSID: DTXSID30211824

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 748

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