[3-(3-methoxyphenyl)isoquinolin-4-yl]methyl pentanoate

Systemtic Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl pentanoate Openeye Name: [3-(3-methoxyphenyl)-4-isoquinolyl]methyl pentanoate CAS Name: pentanoic acid [3-(3-methoxyphenyl)-4-isoquinolinyl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl pentanoate Traditional Name: valeric acid [3-(3-methoxyphenyl)-4-isoquinolyl]methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-4-12-21(24)26-15-20-19-11-6-5-8-17(19)14-23-22(20)16-9-7-10-18(13-16)25-2/h5-11,13-14H,3-4,12,15H2,1-2H3