(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H22N2O6/c1-15(28)26-19-7-8-21-18(11-25(31)33-23(21)12-19)14-32-24(30)13-22-20-6-4-3-5-17(20)9-10-27(22)16(2)29/h3-12,22H,13-14H2,1-2H3,(H,26,28)