4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-2-p-anisyl-isoquinoline-1,3-quinone Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CC4=CC5=C(C=C4)OCCO5)C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CC4=CC5=C(C=C4)OCCO5)C2=O

InChI

InChI=1S/C26H21NO5/c1-30-19-9-6-17(7-10-19)16-27-25(28)21-5-3-2-4-20(21)22(26(27)29)14-18-8-11-23-24(15-18)32-13-12-31-23/h2-11,14-15H,12-13,16H2,1H3