[5-methoxy-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] pyridine-3-carboxylate

Systemtic Name: [5-methoxy-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] pyridine-3-carboxylate Openeye Name: (3-benzyl-5-methoxy-2-oxo-chromen-4-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-methoxy-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-methoxy-2-oxochromen-4-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (3-benzyl-2-keto-5-methoxy-chromen-4-yl) ester Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H17NO5/c1-27-18-10-5-11-19-20(18)21(29-22(25)16-9-6-12-24-14-16)17(23(26)28-19)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3