(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H22O6 MolecularWeight: 454.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)C

InChI

InChI=1S/C28H22O6/c1-17-12-13-21-19(14-25(29)34-26(21)18(17)2)15-32-28(30)27-23(16-31-20-8-4-3-5-9-20)22-10-6-7-11-24(22)33-27/h3-14H,15-16H2,1-2H3