4-[(3-butylisoquinolin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-butylisoquinolin-4-yl)methyl]benzoic acid Openeye Name: 4-[(3-butyl-4-isoquinolyl)methyl]benzoic acid CAS Name: 4-[(3-butyl-4-isoquinolinyl)methyl]benzoic acid IUPAC Name: 4-[(3-butylisoquinolin-4-yl)methyl]benzoic acid Traditional Name: 4-[(3-butyl-4-isoquinolyl)methyl]benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C=N1)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C=N1)CC3=CC=C(C=C3)C(=O)O

InChI

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