methyl (3S)-3-isoquinolin-6-yl-3-oxidanyl-propanoate

Systemtic Name: methyl (3S)-3-isoquinolin-6-yl-3-oxidanyl-propanoate Openeye Name: methyl (3S)-3-hydroxy-3-(6-isoquinolyl)propanoate CAS Name: (3S)-3-hydroxy-3-(6-isoquinolinyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-hydroxy-3-isoquinolin-6-ylpropanoate Traditional Name: (3S)-3-hydroxy-3-(6-isoquinolyl)propionic acid methyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C=C1)C=NC=C2)O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC2=C(C=C1)C=NC=C2)O

InChI

InChI=1S/C13H13NO3/c1-17-13(16)7-12(15)10-2-3-11-8-14-5-4-9(11)6-10/h2-6,8,12,15H,7H2,1H3/t12-/m0/s1