methyl (E)-3-[4-[(6-oxidanylidene-2H-isoquinolin-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[(6-oxidanylidene-2H-isoquinolin-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(6-keto-2H-isoquinolin-1-yl)methyl]phenyl]acrylic acid methyl ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)CC2=C3C=CC(=O)C=C3C=CN2

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)CC2=C3C=CC(=O)C=C3C=CN2

InChI

InChI=1S/C20H17NO3/c1-24-20(23)9-6-14-2-4-15(5-3-14)12-19-18-8-7-17(22)13-16(18)10-11-21-19/h2-11,13,21H,12H2,1H3/b9-6+