dimethyl 2-[2-(phenylmethyl)isoquinolin-1-ylidene]propanedioate

Systemtic Name: dimethyl 2-[2-(phenylmethyl)isoquinolin-1-ylidene]propanedioate Openeye Name: dimethyl 2-(2-benzyl-1-isoquinolylidene)propanedioate CAS Name: 2-[2-(phenylmethyl)-1-isoquinolinylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-benzylisoquinolin-1-ylidene)propanedioate Traditional Name: 2-(2-benzyl-1-isoquinolylidene)malonic acid dimethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c1-25-20(23)18(21(24)26-2)19-17-11-7-6-10-16(17)12-13-22(19)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3