methyl 4-[[6-[(2,5-dimethylphenyl)methoxy]-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[6-[(2,5-dimethylphenyl)methoxy]-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[[6-[(2,5-dimethylphenyl)methoxy]-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[[6-[(2,5-dimethylphenyl)methoxy]-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(2,5-dimethylphenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[[6-(2,5-dimethylbenzyl)oxy-3-keto-coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C26H22O5 MolecularWeight: 414.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)O3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)O3

InChI

InChI=1S/C26H22O5/c1-16-4-5-17(2)20(12-16)15-30-21-10-11-22-23(14-21)31-24(25(22)27)13-18-6-8-19(9-7-18)26(28)29-3/h4-14H,15H2,1-3H3