methyl 2-(2-bromanyl-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-bromanyl-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-bromo-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-bromo-3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromo-3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-bromo-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)Br

Isomeric SMILES

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)Br

InChI

InChI=1S/C16H20BrNO3/c1-10(2)14(17)15(19)18-9-12-7-5-4-6-11(12)8-13(18)16(20)21-3/h4-7,10,13-14H,8-9H2,1-3H3