[3-[(Z)-(6-ethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [3-[(Z)-(6-ethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(Z)-(6-ethoxy-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(Z)-(6-ethoxy-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(Z)-(6-ethoxy-3-keto-coumaran-2-ylidene)methyl]phenyl] ester Formula: C25H20O5 MolecularWeight: 400.4233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)C)O2

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)C)/O2

InChI

InChI=1S/C25H20O5/c1-3-28-19-11-12-21-22(15-19)30-23(24(21)26)14-17-5-4-6-20(13-17)29-25(27)18-9-7-16(2)8-10-18/h4-15H,3H2,1-2H3/b23-14-