(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: (6-chloro-7-ethyl-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 (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)Cl

InChI

InChI=1S/C25H22ClNO5/c1-3-16-10-23-20(12-21(16)26)18(11-25(30)32-23)14-31-24(29)13-22-19-7-5-4-6-17(19)8-9-27(22)15(2)28/h4-12,22H,3,13-14H2,1-2H3