Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-(p-methoxyphenyl)-2-(morpholinomethyl)-, ethyl ester, acetate (ester), hydrochloride

HCID 55824

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Basic information

CAS: 88461-87-4
Standard SMILES: CCOC(=O)c1c(C[NH+]2CCOCC2)n(-c2ccc(OC)cc2)c2cc(Br)c(OC(C)=O)cc12.[Cl-]
InChIKey: PHSKEOJEIFVOLW-UHFFFAOYSA-N
Molecular formula: C25H28BrClN2O6
Average molar mass: 567.9 g/mol
Monoisotopic mass: 566.08193

Names & identifiers

Preferred name: Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-(p-methoxyphenyl)-2-(morpholinomethyl)-, ethyl ester, acetate (ester), hydrochloride
IUPAC: ethyl 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride

Names & synonyms

88461-87-4Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-(p-methoxyphenyl)-2-(morpholinomethyl)-, ethyl ester, acetate (ester), hydrochlorideRefChem:349320

Database identifiers

CAS: 88461-87-4
PubChem CID: 55824

Properties

Computed structural properties

Topological polar surface area: 80.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 697

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