methyl (E)-3-[1-(3-methoxy-3-oxidanylidene-prop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-(3-methoxy-3-oxidanylidene-prop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-(3-methoxy-3-oxo-prop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate CAS Name: (E)-3-[1-(3-methoxy-3-oxoprop-1-ynyl)-1H-isoquinolin-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(3-methoxy-3-oxoprop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate Traditional Name: (E)-3-[1-(3-keto-3-methoxy-prop-1-ynyl)-1H-isoquinolin-2-yl]acrylic acid methyl ester Formula: C17H15NO4 MolecularWeight: 297.3053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CN1C=CC2=CC=CC=C2C1C#CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4/c1-21-16(19)8-7-15-14-6-4-3-5-13(14)9-11-18(15)12-10-17(20)22-2/h3-6,9-12,15H,1-2H3/b12-10+