ethyl (2E)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)acrylic acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCC2=CC=CC=C2C1)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/N1CCC2=CC=CC=C2C1)/C(=O)C

InChI

InChI=1S/C16H19NO3/c1-3-20-16(19)15(12(2)18)11-17-9-8-13-6-4-5-7-14(13)10-17/h4-7,11H,3,8-10H2,1-2H3/b15-11+