(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H20ClNO5/c1-14(25)24-7-6-15-4-2-3-5-19(15)20(24)10-21(26)28-12-17-9-18(23)8-16-11-27-13-29-22(16)17/h2-9,20H,10-13H2,1H3/t20-/m0/s1