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

Systemtic Name: methyl 4-[[7-[[butyl(methyl)amino]methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-keto-coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-4-5-12-24(2)14-18-19(25)11-10-17-21(26)20(29-22(17)18)13-15-6-8-16(9-7-15)23(27)28-3/h6-11,13,25H,4-5,12,14H2,1-3H3