methyl 4-[(Z)-[7-[(dibutylamino)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[7-[(dibutylamino)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[7-[(dibutylamino)methyl]-6-hydroxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[7-[(dibutylamino)methyl]-6-hydroxy-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[7-[(dibutylamino)methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[7-[(dibutylamino)methyl]-6-hydroxy-3-keto-coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(=O)OC)C2=O)O

Isomeric SMILES

CCCCN(CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)O

InChI

InChI=1S/C26H31NO5/c1-4-6-14-27(15-7-5-2)17-21-22(28)13-12-20-24(29)23(32-25(20)21)16-18-8-10-19(11-9-18)26(30)31-3/h8-13,16,28H,4-7,14-15,17H2,1-3H3/b23-16-