methyl 4-[(3-butylisoquinolin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3-butylisoquinolin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3-butyl-1-isoquinolyl)methyl]benzoate CAS Name: 4-[(3-butyl-1-isoquinolinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-butylisoquinolin-1-yl)methyl]benzoate Traditional Name: 4-[(3-butyl-1-isoquinolyl)methyl]benzoic acid methyl ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23NO2/c1-3-4-8-19-15-18-7-5-6-9-20(18)21(23-19)14-16-10-12-17(13-11-16)22(24)25-2/h5-7,9-13,15H,3-4,8,14H2,1-2H3