ethyl (3S)-3-isoquinolin-7-yl-3-oxidanyl-propanoate

Systemtic Name: ethyl (3S)-3-isoquinolin-7-yl-3-oxidanyl-propanoate Openeye Name: ethyl (3S)-3-hydroxy-3-(7-isoquinolyl)propanoate CAS Name: (3S)-3-hydroxy-3-(7-isoquinolinyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-hydroxy-3-isoquinolin-7-ylpropanoate Traditional Name: (3S)-3-hydroxy-3-(7-isoquinolyl)propionic acid ethyl ester Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)C=CN=C2)O

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC2=C(C=C1)C=CN=C2)O

InChI

InChI=1S/C14H15NO3/c1-2-18-14(17)8-13(16)11-4-3-10-5-6-15-9-12(10)7-11/h3-7,9,13,16H,2,8H2,1H3/t13-/m0/s1