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

Systemtic Name: propan-2-yl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-oxidanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-5-12(4)17-15(10-16(20)22-11(2)3)13-8-6-7-9-14(13)18(21)19-17/h6-12,17H,5H2,1-4H3,(H,19,21)/b15-10-/t12-,17-/m0/s1