ethyl (2S,3S)-2-(hydroxymethyl)-3-oxidanyl-5-quinolin-4-yl-pentanoate

Systemtic Name: ethyl (2S,3S)-2-(hydroxymethyl)-3-oxidanyl-5-quinolin-4-yl-pentanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)-5-(4-quinolyl)pentanoate CAS Name: (2S,3S)-3-hydroxy-2-(hydroxymethyl)-5-(4-quinolinyl)pentanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)-5-quinolin-4-ylpentanoate Traditional Name: (2S,3S)-3-hydroxy-2-methylol-5-(4-quinolyl)valeric acid ethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)C(CCC1=CC=NC2=CC=CC=C12)O

Isomeric SMILES

CCOC(=O)[C@@H](CO)[C@H](CCC1=CC=NC2=CC=CC=C12)O

InChI

InChI=1S/C17H21NO4/c1-2-22-17(21)14(11-19)16(20)8-7-12-9-10-18-15-6-4-3-5-13(12)15/h3-6,9-10,14,16,19-20H,2,7-8,11H2,1H3/t14-,16-/m0/s1