pyridin-2-ylmethyl 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: pyridin-2-ylmethyl 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: 2-pyridylmethyl 1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: 1-keto-3-phenyl-isochroman-6-carboxylic acid 2-pyridylmethyl ester Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OCC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OCC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H17NO4/c24-21(26-14-18-8-4-5-11-23-18)16-9-10-19-17(12-16)13-20(27-22(19)25)15-6-2-1-3-7-15/h1-12,20H,13-14H2