methyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-oxidanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoate

Systemtic Name: methyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-oxidanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoate Openeye Name: methyl (2Z)-2-[(3S)-3-[(1S)-1-methylpropyl]-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetate CAS Name: (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester IUPAC Name: methyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetate Traditional Name: (2Z)-2-[(3S)-1-keto-3-[(1S)-1-methylpropyl]-2,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=CC(=O)OC)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC[C@H](C)[C@H]1/C(=C\C(=O)OC)/C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C16H19NO3/c1-4-10(2)15-13(9-14(18)20-3)11-7-5-6-8-12(11)16(19)17-15/h5-10,15H,4H2,1-3H3,(H,17,19)/b13-9-/t10-,15-/m0/s1