(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C26H25NO7 MolecularWeight: 463.4792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(C)C)O

InChI

InChI=1S/C26H25NO7/c1-4-15-9-19-17(11-23(29)34-22(19)12-21(15)28)13-33-26(32)16-5-6-18-20(10-16)25(31)27(24(18)30)8-7-14(2)3/h5-6,9-12,14,28H,4,7-8,13H2,1-3H3