ethyl (2E)-3-deuterio-2-(1H-isochromen-1-ylmethylidene)-4-oxidanylidene-pentanoate

Systemtic Name: ethyl (2E)-3-deuterio-2-(1H-isochromen-1-ylmethylidene)-4-oxidanylidene-pentanoate Openeye Name: ethyl (2E)-3-deuterio-2-(1H-isochromen-1-ylmethylene)-4-oxo-pentanoate CAS Name: (2E)-2-(1H-2-benzopyran-1-ylmethylidene)-3-deuterio-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-deuterio-2-(1H-isochromen-1-ylmethylidene)-4-oxopentanoate Traditional Name: (E)-2-(1-deuterio-2-keto-propyl)-3-(1H-isochromen-1-yl)acrylic acid ethyl ester Formula: C17H18O4 MolecularWeight: 287.328582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C2=CC=CC=C2C=CO1)CC(=O)C

Isomeric SMILES

[2H]C(C(=O)C)/C(=C\C1C2=CC=CC=C2C=CO1)/C(=O)OCC

InChI

InChI=1S/C17H18O4/c1-3-20-17(19)14(10-12(2)18)11-16-15-7-5-4-6-13(15)8-9-21-16/h4-9,11,16H,3,10H2,1-2H3/b14-11+/i10D