[(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propyl] oxane-4-carboxylate

Systemtic Name: [(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propyl] oxane-4-carboxylate Openeye Name: [(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propyl] tetrahydropyran-4-carboxylate CAS Name: 4-oxanecarboxylic acid [(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propyl] ester IUPAC Name: [(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propyl] oxane-4-carboxylate Traditional Name: tetrahydropyran-4-carboxylic acid [(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propyl] ester Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=CC=C1)Cl)OC(=O)C2CCOCC2)NC(C)(C)C

Isomeric SMILES

C[C@@H]([C@H](C1=CC(=CC=C1)Cl)OC(=O)C2CCOCC2)NC(C)(C)C

InChI

InChI=1S/C19H28ClNO3/c1-13(21-19(2,3)4)17(15-6-5-7-16(20)12-15)24-18(22)14-8-10-23-11-9-14/h5-7,12-14,17,21H,8-11H2,1-4H3/t13-,17+/m0/s1