(3-phenylisoquinolin-4-yl)methyl pentanoate

Systemtic Name: (3-phenylisoquinolin-4-yl)methyl pentanoate Openeye Name: (3-phenyl-4-isoquinolyl)methyl pentanoate CAS Name: pentanoic acid (3-phenyl-4-isoquinolinyl)methyl ester IUPAC Name: (3-phenylisoquinolin-4-yl)methyl pentanoate Traditional Name: valeric acid (3-phenyl-4-isoquinolyl)methyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OCC1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO2/c1-2-3-13-20(23)24-15-19-18-12-8-7-11-17(18)14-22-21(19)16-9-5-4-6-10-16/h4-12,14H,2-3,13,15H2,1H3