methyl 4-[4-oxidanylidene-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-3-yl]oxybenzoate

Systemtic Name: methyl 4-[4-oxidanylidene-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[4-oxo-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-3-yl]oxybenzoate CAS Name: 4-[[4-oxo-7-[(1-phenyl-4-pyrazolyl)methoxy]-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-oxo-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-3-yl]oxybenzoate Traditional Name: 4-[4-keto-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-3-yl]oxybenzoic acid methyl ester Formula: C27H20N2O6 MolecularWeight: 468.4575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O6/c1-32-27(31)19-7-9-21(10-8-19)35-25-17-34-24-13-22(11-12-23(24)26(25)30)33-16-18-14-28-29(15-18)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3