methyl (2E)-3-oxidanylidene-2-[2-(phenylmethyl)isoquinolin-1-ylidene]butanoate

Systemtic Name: methyl (2E)-3-oxidanylidene-2-[2-(phenylmethyl)isoquinolin-1-ylidene]butanoate Openeye Name: methyl (2E)-2-(2-benzyl-1-isoquinolylidene)-3-oxo-butanoate CAS Name: (2E)-3-oxo-2-[2-(phenylmethyl)-1-isoquinolinylidene]butanoic acid methyl ester IUPAC Name: methyl (2E)-2-(2-benzylisoquinolin-1-ylidene)-3-oxobutanoate Traditional Name: (2E)-2-(2-benzyl-1-isoquinolylidene)-3-keto-butyric acid methyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C=CN1CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\1/C2=CC=CC=C2C=CN1CC3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C21H19NO3/c1-15(23)19(21(24)25-2)20-18-11-7-6-10-17(18)12-13-22(20)14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3/b20-19+