methyl 3-(hydroxymethyl)-5-oxidanyl-isoquinoline-6-carboxylate

Systemtic Name: methyl 3-(hydroxymethyl)-5-oxidanyl-isoquinoline-6-carboxylate Openeye Name: methyl 5-hydroxy-3-(hydroxymethyl)isoquinoline-6-carboxylate CAS Name: 5-hydroxy-3-(hydroxymethyl)-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-3-(hydroxymethyl)isoquinoline-6-carboxylate Traditional Name: 5-hydroxy-3-methylol-isoquinoline-6-carboxylic acid methyl ester Formula: C12H11NO4 MolecularWeight: 233.22004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=NC=C2C=C1)CO)O

Isomeric SMILES

COC(=O)C1=C(C2=CC(=NC=C2C=C1)CO)O

InChI

InChI=1S/C12H11NO4/c1-17-12(16)9-3-2-7-5-13-8(6-14)4-10(7)11(9)15/h2-5,14-15H,6H2,1H3