[(4R,5S)-5-(dimethylaminomethyl)-2,2-dimethyl-oxan-4-yl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [(4R,5S)-5-(dimethylaminomethyl)-2,2-dimethyl-oxan-4-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [(4R,5S)-5-(dimethylaminomethyl)-2,2-dimethyl-tetrahydropyran-4-yl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [(4R,5S)-5-(dimethylaminomethyl)-2,2-dimethyl-4-oxanyl] ester IUPAC Name: [(4R,5S)-5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [(4R,5S)-5-(dimethylaminomethyl)-2,2-dimethyl-tetrahydropyran-4-yl] ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2CN(C)C)(C)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)O[C@@H]2CC(OC[C@@H]2CN(C)C)(C)C

InChI

InChI=1S/C21H33NO4/c1-15(2)13-24-18-9-7-16(8-10-18)20(23)26-19-11-21(3,4)25-14-17(19)12-22(5)6/h7-10,15,17,19H,11-14H2,1-6H3/t17-,19+/m0/s1