tert-butyl (3S)-3-(1-methylisoquinolin-6-yl)-3-oxidanyl-propanoate

Systemtic Name: tert-butyl (3S)-3-(1-methylisoquinolin-6-yl)-3-oxidanyl-propanoate Openeye Name: tert-butyl (3S)-3-hydroxy-3-(1-methyl-6-isoquinolyl)propanoate CAS Name: (3S)-3-hydroxy-3-(1-methyl-6-isoquinolinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-hydroxy-3-(1-methylisoquinolin-6-yl)propanoate Traditional Name: (3S)-3-hydroxy-3-(1-methyl-6-isoquinolyl)propionic acid tert-butyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC(=C2)C(CC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=NC=CC2=C1C=CC(=C2)[C@H](CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C17H21NO3/c1-11-14-6-5-13(9-12(14)7-8-18-11)15(19)10-16(20)21-17(2,3)4/h5-9,15,19H,10H2,1-4H3/t15-/m0/s1