(3-phenylisoquinolin-4-yl)methyl 4-tert-butylbenzoate

Systemtic Name: (3-phenylisoquinolin-4-yl)methyl 4-tert-butylbenzoate Openeye Name: (3-phenyl-4-isoquinolyl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-phenyl-4-isoquinolinyl)methyl ester IUPAC Name: (3-phenylisoquinolin-4-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-phenyl-4-isoquinolyl)methyl ester Formula: C27H25NO2 MolecularWeight: 395.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO2/c1-27(2,3)22-15-13-20(14-16-22)26(29)30-18-24-23-12-8-7-11-21(23)17-28-25(24)19-9-5-4-6-10-19/h4-17H,18H2,1-3H3