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

Systemtic Name: butyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-oxidanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C1C(NC(=O)C2=CC=CC=C21)C(C)CC

Isomeric SMILES

CCCCOC(=O)/C=C/1\[C@@H](NC(=O)C2=CC=CC=C21)[C@@H](C)CC

InChI

InChI=1S/C19H25NO3/c1-4-6-11-23-17(21)12-16-14-9-7-8-10-15(14)19(22)20-18(16)13(3)5-2/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,20,22)/b16-12-/t13-,18-/m0/s1