methyl (8Z)-8-(2H-isoquinolin-1-ylidene)-7-oxidanylidene-oct-2-ynoate

Systemtic Name: methyl (8Z)-8-(2H-isoquinolin-1-ylidene)-7-oxidanylidene-oct-2-ynoate Openeye Name: methyl (8Z)-8-(2H-isoquinolin-1-ylidene)-7-oxo-oct-2-ynoate CAS Name: (8Z)-8-(2H-isoquinolin-1-ylidene)-7-oxo-2-octynoic acid methyl ester IUPAC Name: methyl (8Z)-8-(2H-isoquinolin-1-ylidene)-7-oxooct-2-ynoate Traditional Name: (8Z)-8-(2H-isoquinolin-1-ylidene)-7-keto-oct-2-ynoic acid methyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCC(=O)C=C1C2=CC=CC=C2C=CN1

Isomeric SMILES

COC(=O)C#CCCCC(=O)/C=C\1/C2=CC=CC=C2C=CN1

InChI

InChI=1S/C18H17NO3/c1-22-18(21)10-4-2-3-8-15(20)13-17-16-9-6-5-7-14(16)11-12-19-17/h5-7,9,11-13,19H,2-3,8H2,1H3/b17-13-