methyl (2E)-2-cyano-2-[2-(phenylmethyl)isoquinolin-1-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-cyano-2-[2-(phenylmethyl)isoquinolin-1-ylidene]ethanoate Openeye Name: methyl (2E)-2-(2-benzyl-1-isoquinolylidene)-2-cyano-acetate CAS Name: (2E)-2-cyano-2-[2-(phenylmethyl)-1-isoquinolinylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-(2-benzylisoquinolin-1-ylidene)-2-cyanoacetate Traditional Name: (2E)-2-(2-benzyl-1-isoquinolylidene)-2-cyano-acetic acid methyl ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1C2=CC=CC=C2C=CN1CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)/C(=C/1\C2=CC=CC=C2C=CN1CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H16N2O2/c1-24-20(23)18(13-21)19-17-10-6-5-9-16(17)11-12-22(19)14-15-7-3-2-4-8-15/h2-12H,14H2,1H3/b19-18+