(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H23NO5 MolecularWeight: 417.45382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C)C

InChI

InChI=1S/C25H23NO5/c1-15-10-21-19(12-25(29)31-23(21)11-16(15)2)14-30-24(28)13-22-20-7-5-4-6-18(20)8-9-26(22)17(3)27/h4-12,22H,13-14H2,1-3H3/t22-/m1/s1