[isoquinolin-1-yl(phenyl)methyl] pyridine-3-carboxylate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] pyridine-3-carboxylate Openeye Name: [1-isoquinolyl(phenyl)methyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C22H16N2O2 MolecularWeight: 340.37464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H16N2O2/c25-22(18-10-6-13-23-15-18)26-21(17-8-2-1-3-9-17)20-19-11-5-4-7-16(19)12-14-24-20/h1-15,21H