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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)C)O2

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)C)/O2

InChI

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