1-bromanylheptane; 2-diethylaminoethyl 2,2-dicyclopentylethanoate

Systemtic Name: 1-bromanylheptane; 2-diethylaminoethyl 2,2-dicyclopentylethanoate Openeye Name: 1-bromoheptane; 2-diethylaminoethyl 2,2-dicyclopentylacetate CAS Name: 1-bromoheptane; 2,2-dicyclopentylacetic acid 2-diethylaminoethyl ester IUPAC Name: 1-bromoheptane; 2-diethylaminoethyl 2,2-dicyclopentylacetate Traditional Name: 1-bromoheptane; 2,2-dicyclopentylacetic acid 2-diethylaminoethyl ester Formula: C25H48BrNO2 MolecularWeight: 474.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCBr.CCN(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

Isomeric SMILES

CCCCCCCBr.CCN(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

InChI

InChI=1S/C18H33NO2.C7H15Br/c1-3-19(4-2)13-14-21-18(20)17(15-9-5-6-10-15)16-11-7-8-12-16;1-2-3-4-5-6-7-8/h15-17H,3-14H2,1-2H3;2-7H2,1H3