(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

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