[(R)-isoquinolin-1-yl(phenyl)methyl] 4-tert-butylbenzoate

Systemtic Name: [(R)-isoquinolin-1-yl(phenyl)methyl] 4-tert-butylbenzoate Openeye Name: [(R)-1-isoquinolyl(phenyl)methyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(R)-1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [(R)-isoquinolin-1-yl(phenyl)methyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(R)-1-isoquinolyl(phenyl)methyl] ester Formula: C27H25NO2 MolecularWeight: 395.4929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C27H25NO2/c1-27(2,3)22-15-13-21(14-16-22)26(29)30-25(20-10-5-4-6-11-20)24-23-12-8-7-9-19(23)17-18-28-24/h4-18,25H,1-3H3/t25-/m1/s1