(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

InChI

InChI=1S/C23H20N2O4/c1-3-16-4-9-20-18(13-22(26)29-21(20)12-16)14-28-23(27)17-5-7-19(8-6-17)25-15(2)10-11-24-25/h4-13H,3,14H2,1-2H3