1H-Indole-2-carboxylic acid, 1,3-dimethyl-4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, ethyl ester, monohydrochloride

HCID 53499

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Basic information

CAS: 76410-35-0
Standard SMILES: CCOC(=O)c1c(C)c2c(OCC(O)C[NH2+]CCc3ccc(OC)c(OC)c3)cccc2n1C.[Cl-]
InChIKey: OSEPAGWWYUVVDO-UHFFFAOYSA-N
Molecular formula: C26H35ClN2O6
Average molar mass: 507 g/mol
Monoisotopic mass: 506.2183645

Names & identifiers

Preferred name: 1H-Indole-2-carboxylic acid, 1,3-dimethyl-4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, ethyl ester, monohydrochloride
IUPAC: 2-(3,4-dimethoxyphenyl)ethyl-[3-(2-ethoxycarbonyl-1,3-dimethylindol-4-yl)oxy-2-hydroxypropyl]azanium chloride

Names & synonyms

76410-35-01H-Indole-2-carboxylic acid, 1,3-dimethyl-4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, ethyl ester, monohydrochlorideRefChem:238945

Database identifiers

CAS: 76410-35-0
PubChem CID: 53499

Properties

Computed structural properties

Topological polar surface area: 95.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 13
Heavy atoms: 35
Formal charge: 0
Complexity: 622

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