ethyl 2-[6-ethyl-2-methyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-ethyl-2-methyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxyethanoate Openeye Name: ethyl 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxyacetate CAS Name: 2-[[6-ethyl-2-methyl-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-7-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxyacetate Traditional Name: 2-[6-ethyl-4-keto-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxyacetic acid ethyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OCC(=O)OCC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OCC(=O)OCC

InChI

InChI=1S/C25H24N2O5/c1-4-17-11-20-22(12-21(17)31-15-23(28)30-5-2)32-16(3)24(25(20)29)18-13-26-27(14-18)19-9-7-6-8-10-19/h6-14H,4-5,15H2,1-3H3