tert-butyl 3-butyl-1-(2-methylpropyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-1-(2-methylpropyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-butyl-1-isobutyl-1H-isoquinoline-2-carboxylate CAS Name: 3-butyl-1-(2-methylpropyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-1-(2-methylpropyl)-1H-isoquinoline-2-carboxylate Traditional Name: 3-butyl-1-isobutyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H33NO2 MolecularWeight: 343.50292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(N1C(=O)OC(C)(C)C)CC(C)C

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(N1C(=O)OC(C)(C)C)CC(C)C

InChI

InChI=1S/C22H33NO2/c1-7-8-12-18-15-17-11-9-10-13-19(17)20(14-16(2)3)23(18)21(24)25-22(4,5)6/h9-11,13,15-16,20H,7-8,12,14H2,1-6H3