methyl 8a-(hydroxymethyl)-6-oxidanylidene-3,4,7,8-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 8a-(hydroxymethyl)-6-oxidanylidene-3,4,7,8-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 8a-(hydroxymethyl)-6-oxo-3,4,7,8-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: 8a-(hydroxymethyl)-6-oxo-3,4,7,8-tetrahydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 8a-(hydroxymethyl)-6-oxo-3,4,7,8-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-keto-8a-methylol-3,4,7,8-tetrahydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=CC(=O)CCC2(C1)CO

Isomeric SMILES

COC(=O)N1CCC2=CC(=O)CCC2(C1)CO

InChI

InChI=1S/C12H17NO4/c1-17-11(16)13-5-3-9-6-10(15)2-4-12(9,7-13)8-14/h6,14H,2-5,7-8H2,1H3