butyl 2-methyl-4,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: butyl 2-methyl-4,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: butyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid butyl ester IUPAC Name: butyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid butyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O

Isomeric SMILES

CCCCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O

InChI

InChI=1S/C15H21NO4/c1-3-4-7-20-15(19)14-11-6-5-10(17)8-12(11)13(18)9-16(14)2/h5-6,8,13-14,17-18H,3-4,7,9H2,1-2H3