3-[(E)-2-[4,6-bis(oxidanyl)oxan-2-yl]ethenyl]-2-(4-methoxyphenyl)-4-propan-2-yl-isoquinolin-1-one

Systemtic Name: 3-[(E)-2-[4,6-bis(oxidanyl)oxan-2-yl]ethenyl]-2-(4-methoxyphenyl)-4-propan-2-yl-isoquinolin-1-one Openeye Name: 3-[(E)-2-(4,6-dihydroxytetrahydropyran-2-yl)vinyl]-4-isopropyl-2-(4-methoxyphenyl)isoquinolin-1-one CAS Name: 3-[(E)-2-(4,6-dihydroxy-2-oxanyl)ethenyl]-2-(4-methoxyphenyl)-4-propan-2-yl-1-isoquinolinone IUPAC Name: 3-[(E)-2-(4,6-dihydroxyoxan-2-yl)ethenyl]-2-(4-methoxyphenyl)-4-propan-2-ylisoquinolin-1-one Traditional Name: 3-[(E)-2-(4,6-dihydroxytetrahydropyran-2-yl)vinyl]-4-isopropyl-2-(4-methoxyphenyl)isocarbostyril Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)C=CC4CC(CC(O4)O)O

Isomeric SMILES

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)/C=C/C4CC(CC(O4)O)O

InChI

InChI=1S/C26H29NO5/c1-16(2)25-21-6-4-5-7-22(21)26(30)27(17-8-10-19(31-3)11-9-17)23(25)13-12-20-14-18(28)15-24(29)32-20/h4-13,16,18,20,24,28-29H,14-15H2,1-3H3/b13-12+