p-Cymene-2-carboxylic acid, 3-diethylaminocarbonylmethoxy-, methyl ester

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Basic information

CAS: 53206-89-6
Standard SMILES: CCN(CC)C(=O)COc1c(C(C)C)ccc(C)c1C(=O)OC
InChIKey: QOTKNEVAZVMWCS-UHFFFAOYSA-N
Molecular formula: C18H27NO4
Average molar mass: 321.4 g/mol
Monoisotopic mass: 321.19400834

Names & identifiers

Preferred name: p-Cymene-2-carboxylic acid, 3-diethylaminocarbonylmethoxy-, methyl ester
IUPAC: methyl 2-[2-(diethylamino)-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate

Names & synonyms

BRN 2765550p-CYMENE-2-CARBOXYLIC ACID, 3-DIETHYLAMINOCARBONYLMETHOXY-, METHYL ESTER53206-89-6DTXSID80201275Benzoic acid, 2-diethylaminocarbonylmethoxy-3-isopropyl-6-methyl-, methyl esterRefChem:367664DTXCID80123766Methyl 2-[2-(diethylamino)-2-oxoethoxy]-6-methyl-3-(propan-2-yl)benzoate

Database identifiers

CAS: 53206-89-6
PubChem CID: 40655
DTXSID: DTXSID80201275
Nikkaji: J85.288K

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 392

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Compound notes

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