3-(1,3-benzodioxol-5-yl)-4-(isoquinolin-1-ylmethyl)-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(isoquinolin-1-ylmethyl)-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-(1-isoquinolylmethyl)-5-(4-methoxyphenyl)furan-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-(1-isoquinolinylmethyl)-5-(4-methoxyphenyl)-2-furanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-(isoquinolin-1-ylmethyl)-5-(4-methoxyphenyl)furan-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-(1-isoquinolylmethyl)-5-(4-methoxyphenyl)furan-2-one Formula: C28H21NO6 MolecularWeight: 467.46944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=NC=CC6=CC=CC=C65)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=NC=CC6=CC=CC=C65)O

InChI

InChI=1S/C28H21NO6/c1-32-20-9-7-19(8-10-20)28(31)22(15-23-21-5-3-2-4-17(21)12-13-29-23)26(27(30)35-28)18-6-11-24-25(14-18)34-16-33-24/h2-14,31H,15-16H2,1H3