methyl (Z)-4-(oxan-2-yloxy)-3-[4-[(6-oxidanylidene-2H-isoquinolin-1-yl)methyl]phenyl]but-2-enoate

Systemtic Name: methyl (Z)-4-(oxan-2-yloxy)-3-[4-[(6-oxidanylidene-2H-isoquinolin-1-yl)methyl]phenyl]but-2-enoate Openeye Name: methyl (Z)-3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]-4-tetrahydropyran-2-yloxy-but-2-enoate CAS Name: (Z)-4-(2-oxanyloxy)-3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(oxan-2-yloxy)-3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]but-2-enoate Traditional Name: (Z)-3-[4-[(6-keto-2H-isoquinolin-1-yl)methyl]phenyl]-4-tetrahydropyran-2-yloxy-but-2-enoic acid methyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(COC1CCCCO1)C2=CC=C(C=C2)CC3=C4C=CC(=O)C=C4C=CN3

Isomeric SMILES

COC(=O)/C=C(\COC1CCCCO1)/C2=CC=C(C=C2)CC3=C4C=CC(=O)C=C4C=CN3

InChI

InChI=1S/C26H27NO5/c1-30-25(29)16-21(17-32-26-4-2-3-13-31-26)19-7-5-18(6-8-19)14-24-23-10-9-22(28)15-20(23)11-12-27-24/h5-12,15-16,26-27H,2-4,13-14,17H2,1H3/b21-16+