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

Systemtic Name: [5-(dimethylaminomethyl)-2,2-dimethyl-oxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride Openeye Name: [5-(dimethylaminomethyl)-2,2-dimethyl-tetrahydropyran-4-yl] 4-isobutoxybenzoate hydrochloride CAS Name: 4-(2-methylpropoxy)benzoic acid [5-(dimethylaminomethyl)-2,2-dimethyl-4-oxanyl] ester hydrochloride IUPAC Name: [5-(dimethylaminomethyl)-2,2-dimethyloxan-4-yl] 4-(2-methylpropoxy)benzoate hydrochloride Traditional Name: 4-isobutoxybenzoic acid [5-(dimethylaminomethyl)-2,2-dimethyl-tetrahydropyran-4-yl] ester hydrochloride Formula: C21H34ClNO4 MolecularWeight: 399.95196

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4.ClH/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;1H