tert-butyl (3Z)-4-butyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3Z)-4-butyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (3Z)-4-butyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate CAS Name: (3Z)-4-butyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3Z)-4-butyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate Traditional Name: (3Z)-4-butyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H33NO2 MolecularWeight: 343.50292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2CN(C1=CCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC\1C2=CC=CC=C2CN(/C1=C\CCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33NO2/c1-6-8-13-19-18-14-11-10-12-17(18)16-23(20(19)15-9-7-2)21(24)25-22(3,4)5/h10-12,14-15,19H,6-9,13,16H2,1-5H3/b20-15-