dimethyl (E)-2-[1-(3-methoxy-3-oxidanylidene-prop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-(3-methoxy-3-oxidanylidene-prop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-(3-methoxy-3-oxo-prop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate CAS Name: (E)-2-[1-(3-methoxy-3-oxoprop-1-ynyl)-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-(3-methoxy-3-oxoprop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (E)-2-[1-(3-keto-3-methoxy-prop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioic acid dimethyl ester Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C=CC2=CC=CC=C2C1C#CC(=O)OC

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1C=CC2=CC=CC=C2C1C#CC(=O)OC

InChI

InChI=1S/C19H17NO6/c1-24-17(21)9-8-15-14-7-5-4-6-13(14)10-11-20(15)16(19(23)26-3)12-18(22)25-2/h4-7,10-12,15H,1-3H3/b16-12+