ethyl (3S)-3-(3-methylisoquinolin-6-yl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (3S)-3-(3-methylisoquinolin-6-yl)-3-oxidanyl-propanoate Openeye Name: ethyl (3S)-3-hydroxy-3-(3-methyl-6-isoquinolyl)propanoate CAS Name: (3S)-3-hydroxy-3-(3-methyl-6-isoquinolinyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-hydroxy-3-(3-methylisoquinolin-6-yl)propanoate Traditional Name: (3S)-3-hydroxy-3-(3-methyl-6-isoquinolyl)propionic acid ethyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=CC(=NC=C2C=C1)C)O

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC2=CC(=NC=C2C=C1)C)O

InChI

InChI=1S/C15H17NO3/c1-3-19-15(18)8-14(17)11-4-5-12-9-16-10(2)6-13(12)7-11/h4-7,9,14,17H,3,8H2,1-2H3/t14-/m0/s1