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

Systemtic Name: 2-methylpropyl 2-methyl-4,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O

Isomeric SMILES

CC(C)COC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O

InChI

InChI=1S/C15H21NO4/c1-9(2)8-20-15(19)14-11-5-4-10(17)6-12(11)13(18)7-16(14)3/h4-6,9,13-14,17-18H,7-8H2,1-3H3