(2-benzamido-2-oxidanylidene-ethyl) 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-15(25)24-12-11-16-7-5-6-10-18(16)19(24)13-21(27)29-14-20(26)23-22(28)17-8-3-2-4-9-17/h2-12,19H,13-14H2,1H3,(H,23,26,28)/t19-/m0/s1