tert-butyl 3-butyl-1-methyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-1-methyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-butyl-1-methyl-1H-isoquinoline-2-carboxylate CAS Name: 3-butyl-1-methyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-1-methyl-1H-isoquinoline-2-carboxylate Traditional Name: 3-butyl-1-methyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H27NO2 MolecularWeight: 301.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2/c1-6-7-11-16-13-15-10-8-9-12-17(15)14(2)20(16)18(21)22-19(3,4)5/h8-10,12-14H,6-7,11H2,1-5H3