(4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H19N3O4/c1-14(26)25-11-10-15-6-2-3-7-16(15)19(25)12-21(27)29-13-20-23-18-9-5-4-8-17(18)22(28)24-20/h2-11,19H,12-13H2,1H3,(H,23,24,28)/t19-/m0/s1