bromanylmethane; 2-diethylaminoethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: bromanylmethane; 2-diethylaminoethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: bromomethane; 2-diethylaminoethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: bromomethane; 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-diethylaminoethyl ester IUPAC Name: bromomethane; 2-diethylaminoethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: bromomethane; 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 2-diethylaminoethyl ester Formula: C21H34BrNO3 MolecularWeight: 428.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.CBr

Isomeric SMILES

CCN(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.CBr

InChI

InChI=1S/C20H31NO3.CH3Br/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;1-2/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3;1H3